6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C23H21F3N4O2 — CID 44581460

IUPAC6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N)CC4)cc2)CC3)cc1
InChIInChI=1S/C23H21F3N4O2/c1-32-17-8-6-16(7-9-17)30-19-18(20(28-30)23(24,25)26)10-13-29(21(19)31)15-4-2-14(3-5-15)22(27)11-12-22/h2-9H,10-13,27H2,1H3
InChIKeyHBOGJEGPNNIKSN-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.05
Rot. Bonds4

About 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581460) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44581460
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N)CC4)cc2)CC3)cc1
InChIInChI=1S/C23H21F3N4O2/c1-32-17-8-6-16(7-9-17)30-19-18(20(28-30)23(24,25)26)10-13-29(21(19)31)15-4-2-14(3-5-15)22(27)11-12-22/h2-9H,10-13,27H2,1H3
InChIKeyHBOGJEGPNNIKSN-UHFFFAOYSA-N
XLogP4.05
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581460) is 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N)CC4)cc2)CC3)cc1.
What is the InChIKey of 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is HBOGJEGPNNIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-32-17-8-6-16(7-9-17)30-19-18(20(28-30)23(24,25)26)10-13-29(21(19)31)15-4-2-14(3-5-15)22(27)11-12-22/h2-9H,10-13,27H2,1H3.
What are the key properties of 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 442.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).