3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C106H101N37O13 — CID 157284289

IUPAC3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESCC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1)N1CCOCC1
InChIInChI=1S/C27H26N10O4.C27H27N9O3.C26H23N9O3.C26H25N9O3/c38-26(36-1-5-40-6-2-36)20-14-29-15-21-22(20)33-25(32-21)23-19-10-17(12-30-24(19)35-34-23)16-9-18(13-28-11-16)31-27(39)37-3-7-41-8-4-37;1-15(2)7-22(37)31-18-8-16(10-28-12-18)17-9-19-24(34-35-25(19)30-11-17)26-32-21-14-29-13-20(23(21)33-26)27(38)36-3-5-39-6-4-36;36-25(14-1-2-14)30-17-7-15(9-27-11-17)16-8-18-22(33-34-23(18)29-10-16)24-31-20-13-28-12-19(21(20)32-24)26(37)35-3-5-38-6-4-35;1-14(2)25(36)30-17-7-15(9-27-11-17)16-8-18-22(33-34-23(18)29-10-16)24-31-20-13-28-12-19(21(20)32-24)26(37)35-3-5-38-6-4-35/h9-15H,1-8H2,(H,31,39)(H,32,33)(H,30,34,35);8-15H,3-7H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);7-14H,1-6H2,(H,30,36)(H,31,32)(H,29,33,34);7-14H,3-6H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34)
InChIKeyBAAQFEVYPWEAMD-UHFFFAOYSA-N
MW2101.22 g/mol
LogP11.51
Rot. Bonds20

About 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 157284289) has the molecular formula C106H101N37O13 and a molecular weight of 2101.22 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID157284289
Molecular FormulaC106H101N37O13
Molecular Weight2101.22 g/mol
Exact Mass2099.84
IUPAC Name3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESCC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1)N1CCOCC1
InChIInChI=1S/C27H26N10O4.C27H27N9O3.C26H23N9O3.C26H25N9O3/c38-26(36-1-5-40-6-2-36)20-14-29-15-21-22(20)33-25(32-21)23-19-10-17(12-30-24(19)35-34-23)16-9-18(13-28-11-16)31-27(39)37-3-7-41-8-4-37;1-15(2)7-22(37)31-18-8-16(10-28-12-18)17-9-19-24(34-35-25(19)30-11-17)26-32-21-14-29-13-20(23(21)33-26)27(38)36-3-5-39-6-4-36;36-25(14-1-2-14)30-17-7-15(9-27-11-17)16-8-18-22(33-34-23(18)29-10-16)24-31-20-13-28-12-19(21(20)32-24)26(37)35-3-5-38-6-4-35;1-14(2)25(36)30-17-7-15(9-27-11-17)16-8-18-22(33-34-23(18)29-10-16)24-31-20-13-28-12-19(21(20)32-24)26(37)35-3-5-38-6-4-35/h9-15H,1-8H2,(H,31,39)(H,32,33)(H,30,34,35);8-15H,3-7H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);7-14H,1-6H2,(H,30,36)(H,31,32)(H,29,33,34);7-14H,3-6H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34)
InChIKeyBAAQFEVYPWEAMD-UHFFFAOYSA-N
XLogP11.51
TPSA631.15 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.22
LogP ≤ 511.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 157284289) is 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cncc5[nH]4)c3c2)c1)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is BAAQFEVYPWEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N10O4.C27H27N9O3.C26H23N9O3.C26H25N9O3/c38-26(36-1-5-40-6-2-36)20-14-29-15-21-22(20)33-25(32-21)23-19-10-17(12-30-24(19)35-34-23)16-9-18(13-28-11-16)31-27(39)37-3-7-41-8-4-37;1-15(2)7-22(37)31-18-8-16(10-28-12-18)17-9-19-24(34-35-25(19)30-11-17)26-32-21-14-29-13-20(23(21)33-26)27(38)36-3-5-39-6-4-36;36-25(14-1-2-14)30-17-7-15(9-27-11-17)16-8-18-22(33-34-23(18)29-10-16)24-31-20-13-28-12-19(21(20)32-24)26(37)35-3-5-38-6-4-35;1-14(2)25(36)30-17-7-15(9-27-11-17)16-8-18-22(33-34-23(18)29-10-16)24-31-20-13-28-12-19(21(20)32-24)26(37)35-3-5-38-6-4-35/h9-15H,1-8H2,(H,31,39)(H,32,33)(H,30,34,35);8-15H,3-7H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);7-14H,1-6H2,(H,30,36)(H,31,32)(H,29,33,34);7-14H,3-6H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34).
What are the key properties of 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 2101.22 g/mol, XLogP of 11.51, 20 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(morpholine-4-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 157284289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).