1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one

C33H35F3N8O2 — CID 22293651

IUPAC1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(=O)c3cnc[nH]3)C4)CC2)c2ccccc21
InChIInChI=1S/C33H35F3N8O2/c1-40-28-5-2-3-6-29(28)44(32(40)46)24-11-16-41(17-12-24)14-4-15-43-27-13-18-42(31(45)26-19-37-21-38-26)20-25(27)30(39-43)22-7-9-23(10-8-22)33(34,35)36/h2-3,5-10,19,21,24H,4,11-18,20H2,1H3,(H,37,38)
InChIKeyMHNXUUQVKHVSPU-UHFFFAOYSA-N
MW632.69 g/mol
LogP4.87
Rot. Bonds7

About 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one

1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one (PubChem CID 22293651) has the molecular formula C33H35F3N8O2 and a molecular weight of 632.69 g/mol. Its IUPAC name is 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
PubChem CID22293651
Molecular FormulaC33H35F3N8O2
Molecular Weight632.69 g/mol
Exact Mass632.28
IUPAC Name1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(=O)c3cnc[nH]3)C4)CC2)c2ccccc21
InChIInChI=1S/C33H35F3N8O2/c1-40-28-5-2-3-6-29(28)44(32(40)46)24-11-16-41(17-12-24)14-4-15-43-27-13-18-42(31(45)26-19-37-21-38-26)20-25(27)30(39-43)22-7-9-23(10-8-22)33(34,35)36/h2-3,5-10,19,21,24H,4,11-18,20H2,1H3,(H,37,38)
InChIKeyMHNXUUQVKHVSPU-UHFFFAOYSA-N
XLogP4.87
TPSA96.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.69
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one (CID 22293651) is 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(=O)c3cnc[nH]3)C4)CC2)c2ccccc21.
What is the InChIKey of 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
The InChIKey is MHNXUUQVKHVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N8O2/c1-40-28-5-2-3-6-29(28)44(32(40)46)24-11-16-41(17-12-24)14-4-15-43-27-13-18-42(31(45)26-19-37-21-38-26)20-25(27)30(39-43)22-7-9-23(10-8-22)33(34,35)36/h2-3,5-10,19,21,24H,4,11-18,20H2,1H3,(H,37,38).
What are the key properties of 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one?
1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one has a molecular weight of 632.69 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 22293651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).