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

C29H32F3N7O2 — CID 22293667

IUPAC3-[1-[3-[5-acetyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1
InChIInChI=1S/C29H32F3N7O2/c1-19(40)37-17-11-25-23(18-37)26(20-5-7-21(8-6-20)29(30,31)32)35-38(25)14-3-13-36-15-9-22(10-16-36)39-27-24(34-28(39)41)4-2-12-33-27/h2,4-8,12,22H,3,9-11,13-18H2,1H3,(H,34,41)
InChIKeyBOVUVTUVCSDFJO-UHFFFAOYSA-N
MW567.62 g/mol
LogP4.24
Rot. Bonds6

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]-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]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 22293667) has the molecular formula C29H32F3N7O2 and a molecular weight of 567.62 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]-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]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID22293667
Molecular FormulaC29H32F3N7O2
Molecular Weight567.62 g/mol
Exact Mass567.26
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]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1
InChIInChI=1S/C29H32F3N7O2/c1-19(40)37-17-11-25-23(18-37)26(20-5-7-21(8-6-20)29(30,31)32)35-38(25)14-3-13-36-15-9-22(10-16-36)39-27-24(34-28(39)41)4-2-12-33-27/h2,4-8,12,22H,3,9-11,13-18H2,1H3,(H,34,41)
InChIKeyBOVUVTUVCSDFJO-UHFFFAOYSA-N
XLogP4.24
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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]-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]-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]-1H-imidazo[4,5-b]pyridin-2-one (CID 22293667) 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]-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]-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]-1H-imidazo[4,5-b]pyridin-2-one is CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1.
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]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BOVUVTUVCSDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O2/c1-19(40)37-17-11-25-23(18-37)26(20-5-7-21(8-6-20)29(30,31)32)35-38(25)14-3-13-36-15-9-22(10-16-36)39-27-24(34-28(39)41)4-2-12-33-27/h2,4-8,12,22H,3,9-11,13-18H2,1H3,(H,34,41).
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]-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]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 567.62 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 22293667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).