1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide

C19H17N5O2 — CID 96543572

IUPAC1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc2ccccc12
InChIInChI=1S/C19H17N5O2/c1-12(17-23-22-16-9-5-6-10-24(16)17)20-18(25)15-11-13-7-3-4-8-14(13)19(21-15)26-2/h3-12H,1-2H3,(H,20,25)/t12-/m0/s1
InChIKeyWVFNORRJHLBQGK-LBPRGKRZSA-N
MW347.38 g/mol
LogP2.78
Rot. Bonds4

About 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide

1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide (PubChem CID 96543572) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
PubChem CID96543572
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc2ccccc12
InChIInChI=1S/C19H17N5O2/c1-12(17-23-22-16-9-5-6-10-24(16)17)20-18(25)15-11-13-7-3-4-8-14(13)19(21-15)26-2/h3-12H,1-2H3,(H,20,25)/t12-/m0/s1
InChIKeyWVFNORRJHLBQGK-LBPRGKRZSA-N
XLogP2.78
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
2-[(1-methoxyisoquinoline-3-carbonyl)amino]propanediamide
CID 56820586
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-methoxyisoquinoline-3-carboxamide
CID 95274404
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 51247901
7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 122714938
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
6-(pyrrolidine-1-carbonyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
CID 126791249
2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030653
1-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-5-carboxamide
CID 71706210
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide?
The IUPAC name of 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide (CID 96543572) is 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide is COc1nc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc2ccccc12.
What is the InChIKey of 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide?
The InChIKey is WVFNORRJHLBQGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12(17-23-22-16-9-5-6-10-24(16)17)20-18(25)15-11-13-7-3-4-8-14(13)19(21-15)26-2/h3-12H,1-2H3,(H,20,25)/t12-/m0/s1.
What are the key properties of 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide?
1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 96543572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).