(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C18H24N4O4 — CID 146115235

IUPAC(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCCOc1ncccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C18H24N4O4/c1-11-9-14-15(12(2)26-11)21-22-16(14)17(23)20-10-13-5-4-6-19-18(13)25-8-7-24-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,23)(H,21,22)/t11-,12+/m0/s1
InChIKeyURRRSNCDJRJEIJ-NWDGAFQWSA-N
MW360.41 g/mol
LogP1.78
Rot. Bonds7

About (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146115235) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146115235
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCCOc1ncccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C18H24N4O4/c1-11-9-14-15(12(2)26-11)21-22-16(14)17(23)20-10-13-5-4-6-19-18(13)25-8-7-24-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,23)(H,21,22)/t11-,12+/m0/s1
InChIKeyURRRSNCDJRJEIJ-NWDGAFQWSA-N
XLogP1.78
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146115235) is (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is COCCOc1ncccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is URRRSNCDJRJEIJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11-9-14-15(12(2)26-11)21-22-16(14)17(23)20-10-13-5-4-6-19-18(13)25-8-7-24-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,23)(H,21,22)/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146115235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).