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

C18H24N4O3 — CID 167839726

IUPAC(5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1C
InChIInChI=1S/C18H24N4O3/c1-9-7-19-14(11(3)17(9)24-5)8-20-18(23)16-13-6-10(2)25-12(4)15(13)21-22-16/h7,10,12H,6,8H2,1-5H3,(H,20,23)(H,21,22)/t10-,12+/m0/s1
InChIKeyFSFLIFMGUXBBOS-CMPLNLGQSA-N
MW344.42 g/mol
LogP2.38
Rot. Bonds4

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

(5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 167839726) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID167839726
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1C
InChIInChI=1S/C18H24N4O3/c1-9-7-19-14(11(3)17(9)24-5)8-20-18(23)16-13-6-10(2)25-12(4)15(13)21-22-16/h7,10,12H,6,8H2,1-5H3,(H,20,23)(H,21,22)/t10-,12+/m0/s1
InChIKeyFSFLIFMGUXBBOS-CMPLNLGQSA-N
XLogP2.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 167839726) is (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is COc1c(C)cnc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1C.
What is the InChIKey of (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is FSFLIFMGUXBBOS-CMPLNLGQSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-9-7-19-14(11(3)17(9)24-5)8-20-18(23)16-13-6-10(2)25-12(4)15(13)21-22-16/h7,10,12H,6,8H2,1-5H3,(H,20,23)(H,21,22)/t10-,12+/m0/s1.
What are the key properties of (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 167839726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).