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

C27H34N8O — CID 138961918

IUPACN-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(N4CCCCC4)cccc3[nH]2)c1)C1CC1
InChIInChI=1S/C27H34N8O/c36-27(16-7-8-16)30-18-11-17(13-28-14-18)21-12-19-22(15-29-21)33-34-24(19)26-31-20-5-4-6-23(25(20)32-26)35-9-2-1-3-10-35/h4-6,11,13-14,16,19,21-22,24,29,33-34H,1-3,7-10,12,15H2,(H,30,36)(H,31,32)
InChIKeyBDJAJAHEIAQYST-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.16
Rot. Bonds5

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

N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 138961918) has the molecular formula C27H34N8O and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID138961918
Molecular FormulaC27H34N8O
Molecular Weight486.62 g/mol
Exact Mass486.29
IUPAC NameN-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(N4CCCCC4)cccc3[nH]2)c1)C1CC1
InChIInChI=1S/C27H34N8O/c36-27(16-7-8-16)30-18-11-17(13-28-14-18)21-12-19-22(15-29-21)33-34-24(19)26-31-20-5-4-6-23(25(20)32-26)35-9-2-1-3-10-35/h4-6,11,13-14,16,19,21-22,24,29,33-34H,1-3,7-10,12,15H2,(H,30,36)(H,31,32)
InChIKeyBDJAJAHEIAQYST-UHFFFAOYSA-N
XLogP3.16
TPSA110.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 138961918) is N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(N4CCCCC4)cccc3[nH]2)c1)C1CC1.
What is the InChIKey of N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is BDJAJAHEIAQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O/c36-27(16-7-8-16)30-18-11-17(13-28-14-18)21-12-19-22(15-29-21)33-34-24(19)26-31-20-5-4-6-23(25(20)32-26)35-9-2-1-3-10-35/h4-6,11,13-14,16,19,21-22,24,29,33-34H,1-3,7-10,12,15H2,(H,30,36)(H,31,32).
What are the key properties of N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 486.62 g/mol, XLogP of 3.16, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 138961918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).