1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C27H29F3N4O2 — CID 44560918

IUPAC1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNC(C)C)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H29F3N4O2/c1-17(2)31-16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)35)34(32-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11,17,31H,12-16H2,1-3H3
InChIKeyKQUWVLACXDJRHJ-UHFFFAOYSA-N
MW498.55 g/mol
LogP5.13
Rot. Bonds7

About 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44560918) has the molecular formula C27H29F3N4O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44560918
Molecular FormulaC27H29F3N4O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNC(C)C)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H29F3N4O2/c1-17(2)31-16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)35)34(32-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11,17,31H,12-16H2,1-3H3
InChIKeyKQUWVLACXDJRHJ-UHFFFAOYSA-N
XLogP5.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44560918) is 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNC(C)C)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is KQUWVLACXDJRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O2/c1-17(2)31-16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)35)34(32-24(22)27(28,29)30)20-8-10-21(36-3)11-9-20/h4-11,17,31H,12-16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 498.55 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-[(propan-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44560918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).