(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C19H24N6O2 — CID 146113637

IUPAC(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2nnc3ccccn23)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C19H24N6O2/c1-5-25-18-13(3)27-12(2)10-14(18)17(22-25)19(26)23(4)11-16-21-20-15-8-6-7-9-24(15)16/h6-9,12-13H,5,10-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyLKSIVCYQXGOULV-OLZOCXBDSA-N
MW368.44 g/mol
LogP2.24
Rot. Bonds4

About (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146113637) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146113637
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2nnc3ccccn23)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C19H24N6O2/c1-5-25-18-13(3)27-12(2)10-14(18)17(22-25)19(26)23(4)11-16-21-20-15-8-6-7-9-24(15)16/h6-9,12-13H,5,10-11H2,1-4H3/t12-,13+/m1/s1
InChIKeyLKSIVCYQXGOULV-OLZOCXBDSA-N
XLogP2.24
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-N-[(4-cyanophenyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101148
[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101395
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-1H-isochromene-5-carboxamide
CID 138025292
(5S,7R)-2-ethyl-5,7-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100267
1,5,2-dioxazepan-2-yl-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111099
tert-butyl N-[4-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]-4-oxobutyl]carbamate
CID 60613145
(3R)-N-methyl-5-oxo-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94816759
(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146111176
N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 71977706
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
(2S)-N-methyl-2-phenyl-2-phenylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 52502293
(E)-3-(4-chlorophenyl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 52827378

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146113637) is (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is CCn1nc(C(=O)N(C)Cc2nnc3ccccn23)c2c1[C@H](C)O[C@H](C)C2.
What is the InChIKey of (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is LKSIVCYQXGOULV-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-25-18-13(3)27-12(2)10-14(18)17(22-25)19(26)23(4)11-16-21-20-15-8-6-7-9-24(15)16/h6-9,12-13H,5,10-11H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1-ethyl-N,5,7-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146113637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).