(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C16H20N4O2 — CID 146102514

IUPAC(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cn1
InChIInChI=1S/C16H20N4O2/c1-9-4-5-12(7-17-9)8-18-16(21)15-13-6-10(2)22-11(3)14(13)19-20-15/h4-5,7,10-11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+/m1/s1
InChIKeyANHJJGPQJHHQPG-MNOVXSKESA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds3

About (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146102514) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146102514
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cn1
InChIInChI=1S/C16H20N4O2/c1-9-4-5-12(7-17-9)8-18-16(21)15-13-6-10(2)22-11(3)14(13)19-20-15/h4-5,7,10-11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+/m1/s1
InChIKeyANHJJGPQJHHQPG-MNOVXSKESA-N
XLogP2.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(6-methyl-2-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102519
(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
(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-[(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-[2-[(5-methyl-2-pyridinyl)amino]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111463
(5R,7S)-5,7-dimethyl-N-[(7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154798415
(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)-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)-N-(3-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425
(5R,7S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146101569

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146102514) is (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cn1.
What is the InChIKey of (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is ANHJJGPQJHHQPG-MNOVXSKESA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-4-5-12(7-17-9)8-18-16(21)15-13-6-10(2)22-11(3)14(13)19-20-15/h4-5,7,10-11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+/m1/s1.
What are the key properties of (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146102514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).