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

C27H24F3N5O2S — CID 10482395

IUPAC1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-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(CNc5nccs5)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H24F3N5O2S/c1-37-20-8-6-19(7-9-20)35-22-21(23(33-35)27(28,29)30)10-14-34(24(22)36)18-4-2-17(3-5-18)26(11-12-26)16-32-25-31-13-15-38-25/h2-9,13,15H,10-12,14,16H2,1H3,(H,31,32)
InChIKeyPZAHMCWYXPHWEA-UHFFFAOYSA-N
MW539.58 g/mol
LogP5.70
Rot. Bonds7

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

1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10482395) has the molecular formula C27H24F3N5O2S and a molecular weight of 539.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-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-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10482395
Molecular FormulaC27H24F3N5O2S
Molecular Weight539.58 g/mol
Exact Mass539.16
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-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(CNc5nccs5)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H24F3N5O2S/c1-37-20-8-6-19(7-9-20)35-22-21(23(33-35)27(28,29)30)10-14-34(24(22)36)18-4-2-17(3-5-18)26(11-12-26)16-32-25-31-13-15-38-25/h2-9,13,15H,10-12,14,16H2,1H3,(H,31,32)
InChIKeyPZAHMCWYXPHWEA-UHFFFAOYSA-N
XLogP5.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.58
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-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-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10482395) is 1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-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-[(1,3-thiazol-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-[(1,3-thiazol-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(CNc5nccs5)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is PZAHMCWYXPHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2S/c1-37-20-8-6-19(7-9-20)35-22-21(23(33-35)27(28,29)30)10-14-34(24(22)36)18-4-2-17(3-5-18)26(11-12-26)16-32-25-31-13-15-38-25/h2-9,13,15H,10-12,14,16H2,1H3,(H,31,32).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 539.58 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-[(1,3-thiazol-2-ylamino)methyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10482395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).