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

C17H22N4O2 — CID 154799295

IUPAC(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-9-5-10(2)14(18-7-9)8-19-17(22)16-13-6-11(3)23-12(4)15(13)20-21-16/h5,7,11-12H,6,8H2,1-4H3,(H,19,22)(H,20,21)/t11-,12+/m1/s1
InChIKeyHYGPXMXVKZACMA-NEPJUHHUSA-N
MW314.39 g/mol
LogP2.37
Rot. Bonds3

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

(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 154799295) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID154799295
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-9-5-10(2)14(18-7-9)8-19-17(22)16-13-6-11(3)23-12(4)15(13)20-21-16/h5,7,11-12H,6,8H2,1-4H3,(H,19,22)(H,20,21)/t11-,12+/m1/s1
InChIKeyHYGPXMXVKZACMA-NEPJUHHUSA-N
XLogP2.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(5R,7S)-5,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154802631
(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102514
(5R,7S)-5,7-dimethyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111463
(5S,7R)-N-[(5-methoxy-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115459
(5S,7R)-N-[(2-methoxy-4-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146105122
(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102108
(5R,7S)-5,7-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102507
(5R,7S)-5,7-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102519
(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111360
(5R,7S)-N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111564
(5R,7S)-5,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146105146

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 154799295) is (5R,7S)-N-[(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 (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is Cc1cnc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c(C)c1.
What is the InChIKey of (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is HYGPXMXVKZACMA-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-9-5-10(2)14(18-7-9)8-19-17(22)16-13-6-11(3)23-12(4)15(13)20-21-16/h5,7,11-12H,6,8H2,1-4H3,(H,19,22)(H,20,21)/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[(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 314.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[(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 154799295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).