5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C19H26N6O3 — CID 97271451

IUPAC5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)no1
InChIInChI=1S/C19H26N6O3/c1-12-8-16(23-28-12)18(26)20-9-13-4-3-6-25(10-13)19(27)17-14-11-24(2)7-5-15(14)21-22-17/h8,13H,3-7,9-11H2,1-2H3,(H,20,26)(H,21,22)/t13-/m0/s1
InChIKeyPLTUUDUUQNPQHI-ZDUSSCGKSA-N
MW386.46 g/mol
LogP0.98
Rot. Bonds4

About 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 97271451) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID97271451
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)no1
InChIInChI=1S/C19H26N6O3/c1-12-8-16(23-28-12)18(26)20-9-13-4-3-6-25(10-13)19(27)17-14-11-24(2)7-5-15(14)21-22-17/h8,13H,3-7,9-11H2,1-2H3,(H,20,26)(H,21,22)/t13-/m0/s1
InChIKeyPLTUUDUUQNPQHI-ZDUSSCGKSA-N
XLogP0.98
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42098299
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
5-methyl-N-[[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45172464
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95215664
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077
5-methyl-N-[[(3S)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42190921
N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 131930403
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752938
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 56902410
N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71883290

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 97271451) is 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)no1.
What is the InChIKey of 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PLTUUDUUQNPQHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-12-8-16(23-28-12)18(26)20-9-13-4-3-6-25(10-13)19(27)17-14-11-24(2)7-5-15(14)21-22-17/h8,13H,3-7,9-11H2,1-2H3,(H,20,26)(H,21,22)/t13-/m0/s1.
What are the key properties of 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(3S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97271451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).