(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C18H25N5O3 — CID 146111181

IUPAC(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1cc(C)nc(CCNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)n1
InChIInChI=1S/C18H25N5O3/c1-10-8-15(25-5)21-14(20-10)6-7-19-18(24)16-13-9-11(2)26-12(3)17(13)23(4)22-16/h8,11-12H,6-7,9H2,1-5H3,(H,19,24)/t11-,12+/m0/s1
InChIKeyGDDCFKWTTHUMOC-NWDGAFQWSA-N
MW359.43 g/mol
LogP1.52
Rot. Bonds5

About (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111181) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111181
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1cc(C)nc(CCNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)n1
InChIInChI=1S/C18H25N5O3/c1-10-8-15(25-5)21-14(20-10)6-7-19-18(24)16-13-9-11(2)26-12(3)17(13)23(4)22-16/h8,11-12H,6-7,9H2,1-5H3,(H,19,24)/t11-,12+/m0/s1
InChIKeyGDDCFKWTTHUMOC-NWDGAFQWSA-N
XLogP1.52
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146111181) is (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is COc1cc(C)nc(CCNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)n1.
What is the InChIKey of (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is GDDCFKWTTHUMOC-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-10-8-15(25-5)21-14(20-10)6-7-19-18(24)16-13-9-11(2)26-12(3)17(13)23(4)22-16/h8,11-12H,6-7,9H2,1-5H3,(H,19,24)/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).