3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C83H79N25O7 — CID 157222384

IUPAC3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESCC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1)N1CCOCC1
InChIInChI=1S/C28H27N9O3.C28H28N8O2.C27H24N8O2/c38-27(36-6-1-2-7-36)20-4-3-5-22-23(20)33-26(32-22)24-21-13-18(15-30-25(21)35-34-24)17-12-19(16-29-14-17)31-28(39)37-8-10-40-11-9-37;1-16(2)10-23(37)31-19-11-17(13-29-15-19)18-12-21-25(34-35-26(21)30-14-18)27-32-22-7-5-6-20(24(22)33-27)28(38)36-8-3-4-9-36;36-26(15-6-7-15)30-18-10-16(12-28-14-18)17-11-20-23(33-34-24(20)29-13-17)25-31-21-5-3-4-19(22(21)32-25)27(37)35-8-1-2-9-35/h3-5,12-16H,1-2,6-11H2,(H,31,39)(H,32,33)(H,30,34,35);5-7,11-16H,3-4,8-10H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);3-5,10-15H,1-2,6-9H2,(H,30,36)(H,31,32)(H,29,33,34)
InChIKeyATDKGRHIDXNWIB-UHFFFAOYSA-N
MW1538.71 g/mol
LogP12.59
Rot. Bonds15

About 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 157222384) has the molecular formula C83H79N25O7 and a molecular weight of 1538.71 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID157222384
Molecular FormulaC83H79N25O7
Molecular Weight1538.71 g/mol
Exact Mass1537.66
IUPAC Name3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILESCC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1)N1CCOCC1
InChIInChI=1S/C28H27N9O3.C28H28N8O2.C27H24N8O2/c38-27(36-6-1-2-7-36)20-4-3-5-22-23(20)33-26(32-22)24-21-13-18(15-30-25(21)35-34-24)17-12-19(16-29-14-17)31-28(39)37-8-10-40-11-9-37;1-16(2)10-23(37)31-19-11-17(13-29-15-19)18-12-21-25(34-35-26(21)30-14-18)27-32-22-7-5-6-20(24(22)33-27)28(38)36-8-3-4-9-36;36-26(15-6-7-15)30-18-10-16(12-28-14-18)17-11-20-23(33-34-24(20)29-13-17)25-31-21-5-3-4-19(22(21)32-25)27(37)35-8-1-2-9-35/h3-5,12-16H,1-2,6-11H2,(H,31,39)(H,32,33)(H,30,34,35);5-7,11-16H,3-4,8-10H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);3-5,10-15H,1-2,6-9H2,(H,30,36)(H,31,32)(H,29,33,34)
InChIKeyATDKGRHIDXNWIB-UHFFFAOYSA-N
XLogP12.59
TPSA410.12 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001538.71
LogP ≤ 512.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N,N-diethyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide
CID 135497870
[4-[6-(1H-indol-5-yl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 73058017
US20240025884, Example 296
CID 170672769
US20240025884, Example 416
CID 170672804
US20240025884, Example 411
CID 170673034
US20240025884, Example 347
CID 170673117
US20240025884, Example 333
CID 170673123
US20240025884, Example 500
CID 170673136
US20240025884, Example 425
CID 170673178
US20240025884, Example 292
CID 170673251
US20240025884, Example 352
CID 170673283
1-[4-fluoro-7-[5-[4-(2-morpholinoethyl)piperazine-1-carbonyl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 49770122

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 157222384) is 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-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-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1)C1CC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCCC6)cccc5[nH]4)c3c2)c1)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is ATDKGRHIDXNWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N9O3.C28H28N8O2.C27H24N8O2/c38-27(36-6-1-2-7-36)20-4-3-5-22-23(20)33-26(32-22)24-21-13-18(15-30-25(21)35-34-24)17-12-19(16-29-14-17)31-28(39)37-8-10-40-11-9-37;1-16(2)10-23(37)31-19-11-17(13-29-15-19)18-12-21-25(34-35-26(21)30-14-18)27-32-22-7-5-6-20(24(22)33-27)28(38)36-8-3-4-9-36;36-26(15-6-7-15)30-18-10-16(12-28-14-18)17-11-20-23(33-34-24(20)29-13-17)25-31-21-5-3-4-19(22(21)32-25)27(37)35-8-1-2-9-35/h3-5,12-16H,1-2,6-11H2,(H,31,39)(H,32,33)(H,30,34,35);5-7,11-16H,3-4,8-10H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);3-5,10-15H,1-2,6-9H2,(H,30,36)(H,31,32)(H,29,33,34).
What are the key properties of 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 1538.71 g/mol, XLogP of 12.59, 15 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 157222384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).