3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine

C27H22F3N5 — CID 67090725

IUPAC3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cccc2cc(Cn3nc(C4CC4)c4c(N)nccc43)c(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C27H22F3N5/c1-15-5-4-6-17-13-18(24(33-23(15)17)19-7-2-3-8-20(19)27(28,29)30)14-35-21-11-12-32-26(31)22(21)25(34-35)16-9-10-16/h2-8,11-13,16H,9-10,14H2,1H3,(H2,31,32)
InChIKeyZEHTYUXNQMAJIT-UHFFFAOYSA-N
MW473.50 g/mol
LogP6.48
Rot. Bonds4

About 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine

3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 67090725) has the molecular formula C27H22F3N5 and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID67090725
Molecular FormulaC27H22F3N5
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cccc2cc(Cn3nc(C4CC4)c4c(N)nccc43)c(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C27H22F3N5/c1-15-5-4-6-17-13-18(24(33-23(15)17)19-7-2-3-8-20(19)27(28,29)30)14-35-21-11-12-32-26(31)22(21)25(34-35)16-9-10-16/h2-8,11-13,16H,9-10,14H2,1H3,(H2,31,32)
InChIKeyZEHTYUXNQMAJIT-UHFFFAOYSA-N
XLogP6.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine (CID 67090725) is 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine is Cc1cccc2cc(Cn3nc(C4CC4)c4c(N)nccc43)c(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is ZEHTYUXNQMAJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5/c1-15-5-4-6-17-13-18(24(33-23(15)17)19-7-2-3-8-20(19)27(28,29)30)14-35-21-11-12-32-26(31)22(21)25(34-35)16-9-10-16/h2-8,11-13,16H,9-10,14H2,1H3,(H2,31,32).
What are the key properties of 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 473.50 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[8-methyl-2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 67090725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).