N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C30H32FN7O — CID 138961903

IUPACN-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccccc4F)cccc3[nH]2)c1)C1CCCC1
InChIInChI=1S/C30H32FN7O/c31-23-10-4-3-8-20(23)21-9-5-11-24-27(21)36-29(35-24)28-22-13-25(33-16-26(22)37-38-28)18-12-19(15-32-14-18)34-30(39)17-6-1-2-7-17/h3-5,8-12,14-15,17,22,25-26,28,33,37-38H,1-2,6-7,13,16H2,(H,34,39)(H,35,36)
InChIKeyHINYHPKKVGQIAA-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.76
Rot. Bonds5

About N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 138961903) has the molecular formula C30H32FN7O and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID138961903
Molecular FormulaC30H32FN7O
Molecular Weight525.63 g/mol
Exact Mass525.27
IUPAC NameN-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccccc4F)cccc3[nH]2)c1)C1CCCC1
InChIInChI=1S/C30H32FN7O/c31-23-10-4-3-8-20(23)21-9-5-11-24-27(21)36-29(35-24)28-22-13-25(33-16-26(22)37-38-28)18-12-19(15-32-14-18)34-30(39)17-6-1-2-7-17/h3-5,8-12,14-15,17,22,25-26,28,33,37-38H,1-2,6-7,13,16H2,(H,34,39)(H,35,36)
InChIKeyHINYHPKKVGQIAA-UHFFFAOYSA-N
XLogP4.76
TPSA106.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide with MolForge

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Related Compounds

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CID 136132591
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CID 145995891
CID 145995891
CID 145995893
CID 145995893
CID 145995896
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CID 10960879
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CID 16190498
CID 16190498

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 138961903) is N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccccc4F)cccc3[nH]2)c1)C1CCCC1.
What is the InChIKey of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is HINYHPKKVGQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O/c31-23-10-4-3-8-20(23)21-9-5-11-24-27(21)36-29(35-24)28-22-13-25(33-16-26(22)37-38-28)18-12-19(15-32-14-18)34-30(39)17-6-1-2-7-17/h3-5,8-12,14-15,17,22,25-26,28,33,37-38H,1-2,6-7,13,16H2,(H,34,39)(H,35,36).
What are the key properties of N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 525.63 g/mol, XLogP of 4.76, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 138961903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).