4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one

C27H27F3N8O3 — CID 164514219

IUPAC4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCC(O)(C(F)(F)F)CC4)n2)n(C)c(=O)n3C)c(C)n1
InChIInChI=1S/C27H27F3N8O3/c1-15-16-14-32-38(19(16)11-18(33-15)17-13-31-8-5-21(17)41-4)22-12-20-23(36(3)25(39)35(20)2)24(34-22)37-9-6-26(40,7-10-37)27(28,29)30/h5,8,11-14,40H,6-7,9-10H2,1-4H3
InChIKeyNEAYRENWGWSVPU-UHFFFAOYSA-N
MW568.56 g/mol
LogP3.28
Rot. Bonds4

About 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one

4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one (PubChem CID 164514219) has the molecular formula C27H27F3N8O3 and a molecular weight of 568.56 g/mol. Its IUPAC name is 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one
PubChem CID164514219
Molecular FormulaC27H27F3N8O3
Molecular Weight568.56 g/mol
Exact Mass568.22
IUPAC Name4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCC(O)(C(F)(F)F)CC4)n2)n(C)c(=O)n3C)c(C)n1
InChIInChI=1S/C27H27F3N8O3/c1-15-16-14-32-38(19(16)11-18(33-15)17-13-31-8-5-21(17)41-4)22-12-20-23(36(3)25(39)35(20)2)24(34-22)37-9-6-26(40,7-10-37)27(28,29)30/h5,8,11-14,40H,6-7,9-10H2,1-4H3
InChIKeyNEAYRENWGWSVPU-UHFFFAOYSA-N
XLogP3.28
TPSA116.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one (CID 164514219) is 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCC(O)(C(F)(F)F)CC4)n2)n(C)c(=O)n3C)c(C)n1.
What is the InChIKey of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
The InChIKey is NEAYRENWGWSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O3/c1-15-16-14-32-38(19(16)11-18(33-15)17-13-31-8-5-21(17)41-4)22-12-20-23(36(3)25(39)35(20)2)24(34-22)37-9-6-26(40,7-10-37)27(28,29)30/h5,8,11-14,40H,6-7,9-10H2,1-4H3.
What are the key properties of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one has a molecular weight of 568.56 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 164514219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).