3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one

C30H34F3N7O3 — CID 22293776

IUPAC3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc2[nH]c(=O)n(C3CCN(CCCn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(C(C)=O)C5)CC3)c2n1
InChIInChI=1S/C30H34F3N7O3/c1-19(41)38-17-12-25-23(18-38)27(20-4-6-21(7-5-20)30(31,32)33)36-39(25)14-3-13-37-15-10-22(11-16-37)40-28-24(34-29(40)42)8-9-26(35-28)43-2/h4-9,22H,3,10-18H2,1-2H3,(H,34,42)
InChIKeyBXAFZLBJJNOBNQ-UHFFFAOYSA-N
MW597.64 g/mol
LogP4.25
Rot. Bonds7

About 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one

3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 22293776) has the molecular formula C30H34F3N7O3 and a molecular weight of 597.64 g/mol. Its IUPAC name is 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID22293776
Molecular FormulaC30H34F3N7O3
Molecular Weight597.64 g/mol
Exact Mass597.27
IUPAC Name3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc2[nH]c(=O)n(C3CCN(CCCn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(C(C)=O)C5)CC3)c2n1
InChIInChI=1S/C30H34F3N7O3/c1-19(41)38-17-12-25-23(18-38)27(20-4-6-21(7-5-20)30(31,32)33)36-39(25)14-3-13-37-15-10-22(11-16-37)40-28-24(34-29(40)42)8-9-26(35-28)43-2/h4-9,22H,3,10-18H2,1-2H3,(H,34,42)
InChIKeyBXAFZLBJJNOBNQ-UHFFFAOYSA-N
XLogP4.25
TPSA101.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one (CID 22293776) is 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one is COc1ccc2[nH]c(=O)n(C3CCN(CCCn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(C(C)=O)C5)CC3)c2n1.
What is the InChIKey of 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BXAFZLBJJNOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N7O3/c1-19(41)38-17-12-25-23(18-38)27(20-4-6-21(7-5-20)30(31,32)33)36-39(25)14-3-13-37-15-10-22(11-16-37)40-28-24(34-29(40)42)8-9-26(35-28)43-2/h4-9,22H,3,10-18H2,1-2H3,(H,34,42).
What are the key properties of 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 597.64 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 22293776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).