2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C106H104F2N36O3 — CID 158379684

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cncc6[nH]5)c4c3)c2)C1
InChIInChI=1S/C27H21F2N9.2C27H29N9O.C25H25N9O/c28-27(29)4-6-38(15-27)14-16-7-17(10-30-9-16)18-8-19-24(36-37-25(19)33-11-18)26-34-22-13-31-12-20(23(22)35-26)21-3-1-2-5-32-21;1-27(2,3)26(37)31-18-9-16(11-28-13-18)17-10-19-22(34-35-24(19)30-12-17)25-32-20-14-29-15-21(23(20)33-25)36-7-5-4-6-8-36;1-16(2)8-23(37)31-19-9-17(11-28-13-19)18-10-20-24(34-35-26(20)30-12-18)27-32-21-14-29-15-22(25(21)33-27)36-6-4-3-5-7-36;1-2-21(35)29-17-8-15(10-26-12-17)16-9-18-22(32-33-24(18)28-11-16)25-30-19-13-27-14-20(23(19)31-25)34-6-4-3-5-7-34/h1-3,5,7-13H,4,6,14-15H2,(H,34,35)(H,33,36,37);9-15H,4-8H2,1-3H3,(H,31,37)(H,32,33)(H,30,34,35);9-16H,3-8H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);8-14H,2-7H2,1H3,(H,29,35)(H,30,31)(H,28,32,33)
InChIKeyGVQDAXACTMMSJP-UHFFFAOYSA-N
MW1968.24 g/mol
LogP19.02
Rot. Bonds20

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 158379684) has the molecular formula C106H104F2N36O3 and a molecular weight of 1968.24 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID158379684
Molecular FormulaC106H104F2N36O3
Molecular Weight1968.24 g/mol
Exact Mass1966.91
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cncc6[nH]5)c4c3)c2)C1
InChIInChI=1S/C27H21F2N9.2C27H29N9O.C25H25N9O/c28-27(29)4-6-38(15-27)14-16-7-17(10-30-9-16)18-8-19-24(36-37-25(19)33-11-18)26-34-22-13-31-12-20(23(22)35-26)21-3-1-2-5-32-21;1-27(2,3)26(37)31-18-9-16(11-28-13-18)17-10-19-22(34-35-24(19)30-12-17)25-32-20-14-29-15-21(23(20)33-25)36-7-5-4-6-8-36;1-16(2)8-23(37)31-19-9-17(11-28-13-19)18-10-20-24(34-35-26(20)30-12-18)27-32-21-14-29-15-22(25(21)33-27)36-6-4-3-5-7-36;1-2-21(35)29-17-8-15(10-26-12-17)16-9-18-22(32-33-24(18)28-11-16)25-30-19-13-27-14-20(23(19)31-25)34-6-4-3-5-7-34/h1-3,5,7-13H,4,6,14-15H2,(H,34,35)(H,33,36,37);9-15H,4-8H2,1-3H3,(H,31,37)(H,32,33)(H,30,34,35);9-16H,3-8H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);8-14H,2-7H2,1H3,(H,29,35)(H,30,31)(H,28,32,33)
InChIKeyGVQDAXACTMMSJP-UHFFFAOYSA-N
XLogP19.02
TPSA497.27 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001968.24
LogP ≤ 519.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 158379684) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cncc6[nH]5)c4c3)c2)C1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is GVQDAXACTMMSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N9.2C27H29N9O.C25H25N9O/c28-27(29)4-6-38(15-27)14-16-7-17(10-30-9-16)18-8-19-24(36-37-25(19)33-11-18)26-34-22-13-31-12-20(23(22)35-26)21-3-1-2-5-32-21;1-27(2,3)26(37)31-18-9-16(11-28-13-18)17-10-19-22(34-35-24(19)30-12-17)25-32-20-14-29-15-21(23(20)33-25)36-7-5-4-6-8-36;1-16(2)8-23(37)31-19-9-17(11-28-13-19)18-10-20-24(34-35-26(20)30-12-18)27-32-21-14-29-15-22(25(21)33-27)36-6-4-3-5-7-36;1-2-21(35)29-17-8-15(10-26-12-17)16-9-18-22(32-33-24(18)28-11-16)25-30-19-13-27-14-20(23(19)31-25)34-6-4-3-5-7-34/h1-3,5,7-13H,4,6,14-15H2,(H,34,35)(H,33,36,37);9-15H,4-8H2,1-3H3,(H,31,37)(H,32,33)(H,30,34,35);9-16H,3-8H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);8-14H,2-7H2,1H3,(H,29,35)(H,30,31)(H,28,32,33).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 1968.24 g/mol, XLogP of 19.02, 20 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 158379684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).