2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C100H93N35O8 — CID 158207890

IUPAC2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C26H25N9O2.C26H24N8O2.C25H23N9O2.C23H21N9O2/c1-14(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)35-5-3-4-6-35;1-2-18(35)10-17-6-5-15(11-28-17)16-9-19-23(32-33-24(19)29-12-16)25-30-21-14-27-13-20(22(21)31-25)26(36)34-7-3-4-8-34;1-2-20(35)29-16-7-14(9-26-11-16)15-8-17-22(32-33-23(17)28-10-15)24-30-19-13-27-12-18(21(19)31-24)25(36)34-5-3-4-6-34;1-11(2)3-18(33)28-14-4-12(6-25-8-14)13-5-15-20(31-32-22(15)27-7-13)23-29-17-10-26-9-16(21(24)34)19(17)30-23/h7-14H,3-6H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);5-6,9,11-14H,2-4,7-8,10H2,1H3,(H,30,31)(H,29,32,33);7-13H,2-6H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-11H,3H2,1-2H3,(H2,24,34)(H,28,33)(H,29,30)(H,27,31,32)
InChIKeyGBSHBEYIIKCYEU-UHFFFAOYSA-N
MW1913.08 g/mol
LogP14.09
Rot. Bonds22

About 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 158207890) has the molecular formula C100H93N35O8 and a molecular weight of 1913.08 g/mol. Its IUPAC name is 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-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-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID158207890
Molecular FormulaC100H93N35O8
Molecular Weight1913.08 g/mol
Exact Mass1911.79
IUPAC Name2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C26H25N9O2.C26H24N8O2.C25H23N9O2.C23H21N9O2/c1-14(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)35-5-3-4-6-35;1-2-18(35)10-17-6-5-15(11-28-17)16-9-19-23(32-33-24(19)29-12-16)25-30-21-14-27-13-20(22(21)31-25)26(36)34-7-3-4-8-34;1-2-20(35)29-16-7-14(9-26-11-16)15-8-17-22(32-33-23(17)28-10-15)24-30-19-13-27-12-18(21(19)31-24)25(36)34-5-3-4-6-34;1-11(2)3-18(33)28-14-4-12(6-25-8-14)13-5-15-20(31-32-22(15)27-7-13)23-29-17-10-26-9-16(21(24)34)19(17)30-23/h7-14H,3-6H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);5-6,9,11-14H,2-4,7-8,10H2,1H3,(H,30,31)(H,29,32,33);7-13H,2-6H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-11H,3H2,1-2H3,(H2,24,34)(H,28,33)(H,29,30)(H,27,31,32)
InChIKeyGBSHBEYIIKCYEU-UHFFFAOYSA-N
XLogP14.09
TPSA592.51 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.08
LogP ≤ 514.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-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-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-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-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 158207890) is 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-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-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-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-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is GBSHBEYIIKCYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2.C26H24N8O2.C25H23N9O2.C23H21N9O2/c1-14(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)35-5-3-4-6-35;1-2-18(35)10-17-6-5-15(11-28-17)16-9-19-23(32-33-24(19)29-12-16)25-30-21-14-27-13-20(22(21)31-25)26(36)34-7-3-4-8-34;1-2-20(35)29-16-7-14(9-26-11-16)15-8-17-22(32-33-23(17)28-10-15)24-30-19-13-27-12-18(21(19)31-24)25(36)34-5-3-4-6-34;1-11(2)3-18(33)28-14-4-12(6-25-8-14)13-5-15-20(31-32-22(15)27-7-13)23-29-17-10-26-9-16(21(24)34)19(17)30-23/h7-14H,3-6H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);5-6,9,11-14H,2-4,7-8,10H2,1H3,(H,30,31)(H,29,32,33);7-13H,2-6H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-11H,3H2,1-2H3,(H2,24,34)(H,28,33)(H,29,30)(H,27,31,32).
What are the key properties of 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 1913.08 g/mol, XLogP of 14.09, 22 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-methyl-N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[7-(pyrrolidine-1-carbonyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 158207890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).