N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C36H35FN8O2 — CID 137112767

IUPACN-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN7CCCC7)c6)cncc5[nH]4)c3n2)c1)C1CCCC1
InChIInChI=1S/C36H35FN8O2/c37-25-13-23(15-27(16-25)47-12-11-45-9-3-4-10-45)29-20-39-21-33-28(29)17-32(41-33)35-34-31(43-44-35)8-7-30(42-34)24-14-26(19-38-18-24)40-36(46)22-5-1-2-6-22/h7-8,13-22,41H,1-6,9-12H2,(H,40,46)(H,43,44)
InChIKeyTTYQOHHWZINOFJ-UHFFFAOYSA-N
MW630.73 g/mol
LogP6.97
Rot. Bonds9

About N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137112767) has the molecular formula C36H35FN8O2 and a molecular weight of 630.73 g/mol. Its IUPAC name is N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID137112767
Molecular FormulaC36H35FN8O2
Molecular Weight630.73 g/mol
Exact Mass630.29
IUPAC NameN-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN7CCCC7)c6)cncc5[nH]4)c3n2)c1)C1CCCC1
InChIInChI=1S/C36H35FN8O2/c37-25-13-23(15-27(16-25)47-12-11-45-9-3-4-10-45)29-20-39-21-33-28(29)17-32(41-33)35-34-31(43-44-35)8-7-30(42-34)24-14-26(19-38-18-24)40-36(46)22-5-1-2-6-22/h7-8,13-22,41H,1-6,9-12H2,(H,40,46)(H,43,44)
InChIKeyTTYQOHHWZINOFJ-UHFFFAOYSA-N
XLogP6.97
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.73
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137142996
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(3-(2-morpholinoethoxy)phenyl)propan-2-amine
CID 45481745
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(3-(piperidin-4-ylmethoxy)phenyl)propan-2-amine
CID 45481746
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137110865
3-(2-fluorophenyl)-5-[4-[[(3S)-piperidin-3-yl]methoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253883
3-(2-fluorophenyl)-5-[4-(piperidin-3-ylmethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253884
3-(2-fluorophenyl)-5-[4-(2-piperidin-4-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253961
3-(2-fluorophenyl)-5-[4-[[(3R)-piperidin-3-yl]methoxy]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71254211
N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 126557003
2-[3-fluoro-5-[2-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-7,8-dihydro-1,6-naphthyridin-5-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 126561444
N-[5-[1-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 126561485
5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine
CID 126562117

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137112767) is N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(F)cc(OCCN7CCCC7)c6)cncc5[nH]4)c3n2)c1)C1CCCC1.
What is the InChIKey of N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is TTYQOHHWZINOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35FN8O2/c37-25-13-23(15-27(16-25)47-12-11-45-9-3-4-10-45)29-20-39-21-33-28(29)17-32(41-33)35-34-31(43-44-35)8-7-30(42-34)24-14-26(19-38-18-24)40-36(46)22-5-1-2-6-22/h7-8,13-22,41H,1-6,9-12H2,(H,40,46)(H,43,44).
What are the key properties of N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 630.73 g/mol, XLogP of 6.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137112767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).