5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

C18H20N6O3 — CID 95104450

IUPAC5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1noc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4CCCO4)c3C)c2)n1
InChIInChI=1S/C18H20N6O3/c1-11-15(17(25)20-9-14-4-3-7-26-14)10-21-24(11)16-8-13(5-6-19-16)18-22-12(2)23-27-18/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyDORSDPAIPSNUMU-AWEZNQCLSA-N
MW368.40 g/mol
LogP1.84
Rot. Bonds5

About 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 95104450) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID95104450
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1noc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4CCCO4)c3C)c2)n1
InChIInChI=1S/C18H20N6O3/c1-11-15(17(25)20-9-14-4-3-7-26-14)10-21-24(11)16-8-13(5-6-19-16)18-22-12(2)23-27-18/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyDORSDPAIPSNUMU-AWEZNQCLSA-N
XLogP1.84
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178942
N-(cyclopropylmethyl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53178980
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179048
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104422
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 94237851
5-methyl-N-(3-methylphenyl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178992
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (CID 95104450) is 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is Cc1noc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4CCCO4)c3C)c2)n1.
What is the InChIKey of 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is DORSDPAIPSNUMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-15(17(25)20-9-14-4-3-7-26-14)10-21-24(11)16-8-13(5-6-19-16)18-22-12(2)23-27-18/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95104450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).