5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one

C20H17N7O — CID 44512934

IUPAC5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
SMILESC[C@@H](c1ccc2ncccc2c1)n1nnc2ccn(-c3cnn(C)c3)c(=O)c21
InChIInChI=1S/C20H17N7O/c1-13(14-5-6-17-15(10-14)4-3-8-21-17)27-19-18(23-24-27)7-9-26(20(19)28)16-11-22-25(2)12-16/h3-13H,1-2H3/t13-/m0/s1
InChIKeyPEUAHYDTRUVITP-ZDUSSCGKSA-N
MW371.40 g/mol
LogP2.47
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one

5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one (PubChem CID 44512934) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
PubChem CID44512934
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one
SMILESC[C@@H](c1ccc2ncccc2c1)n1nnc2ccn(-c3cnn(C)c3)c(=O)c21
InChIInChI=1S/C20H17N7O/c1-13(14-5-6-17-15(10-14)4-3-8-21-17)27-19-18(23-24-27)7-9-26(20(19)28)16-11-22-25(2)12-16/h3-13H,1-2H3/t13-/m0/s1
InChIKeyPEUAHYDTRUVITP-ZDUSSCGKSA-N
XLogP2.47
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one (CID 44512934) is 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one is C[C@@H](c1ccc2ncccc2c1)n1nnc2ccn(-c3cnn(C)c3)c(=O)c21.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
The InChIKey is PEUAHYDTRUVITP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17N7O/c1-13(14-5-6-17-15(10-14)4-3-8-21-17)27-19-18(23-24-27)7-9-26(20(19)28)16-11-22-25(2)12-16/h3-13H,1-2H3/t13-/m0/s1.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one?
5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one has a molecular weight of 371.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 44512934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).