(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C19H26N4O3 — CID 146093679

IUPAC(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCc1cnccc1C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H26N4O3/c1-12-5-6-20-10-15(12)11-21-19(24)18-16-9-13(2)26-14(3)17(16)22-23(18)7-8-25-4/h5-6,10,13-14H,7-9,11H2,1-4H3,(H,21,24)/t13-,14+/m0/s1
InChIKeyMBKZLEYNVILVLM-UONOGXRCSA-N
MW358.44 g/mol
LogP2.19
Rot. Bonds6

About (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093679) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093679
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCc1cnccc1C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H26N4O3/c1-12-5-6-20-10-15(12)11-21-19(24)18-16-9-13(2)26-14(3)17(16)22-23(18)7-8-25-4/h5-6,10,13-14H,7-9,11H2,1-4H3,(H,21,24)/t13-,14+/m0/s1
InChIKeyMBKZLEYNVILVLM-UONOGXRCSA-N
XLogP2.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093834
(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093602
(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093618
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146076417
(5S,7R)-N-[(3-hydroxycyclobutyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093633
(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093692
4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
CID 146093697
(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
(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093381
[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
CID 146093600
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093779
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093679) is (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COCCn1nc2c(c1C(=O)NCc1cnccc1C)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is MBKZLEYNVILVLM-UONOGXRCSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-5-6-20-10-15(12)11-21-19(24)18-16-9-13(2)26-14(3)17(16)22-23(18)7-8-25-4/h5-6,10,13-14H,7-9,11H2,1-4H3,(H,21,24)/t13-,14+/m0/s1.
What are the key properties of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).