N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane

C22H29N7O3 — CID 161237860

IUPACN-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
SMILESCC.Cc1cc(-c2nc(C(=O)Nc3cn(C4CCN(C)CC4)nc3C(N)=O)co2)ccn1
InChIInChI=1S/C20H23N7O3.C2H6/c1-12-9-13(3-6-22-12)20-24-16(11-30-20)19(29)23-15-10-27(25-17(15)18(21)28)14-4-7-26(2)8-5-14;1-2/h3,6,9-11,14H,4-5,7-8H2,1-2H3,(H2,21,28)(H,23,29);1-2H3
InChIKeyUZPMPNXTPACYKN-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.89
Rot. Bonds5

About N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane

N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane (PubChem CID 161237860) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
PubChem CID161237860
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC NameN-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
SMILESCC.Cc1cc(-c2nc(C(=O)Nc3cn(C4CCN(C)CC4)nc3C(N)=O)co2)ccn1
InChIInChI=1S/C20H23N7O3.C2H6/c1-12-9-13(3-6-22-12)20-24-16(11-30-20)19(29)23-15-10-27(25-17(15)18(21)28)14-4-7-26(2)8-5-14;1-2/h3,6,9-11,14H,4-5,7-8H2,1-2H3,(H2,21,28)(H,23,29);1-2H3
InChIKeyUZPMPNXTPACYKN-UHFFFAOYSA-N
XLogP2.89
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 158415687
N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 171370329
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 52913876
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170240031
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766
ethane;N-methyl-4-(methylamino)-1-(oxan-4-yl)pyrazole-3-carboxamide;2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbaldehyde
CID 177055778
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138727494
tert-butyl N-[4-[4-[[1-(1-tert-butylazetidin-3-yl)-3-carbamoylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 155251057
4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]benzoic acid
CID 138727856
N-[3-carbamoyl-1-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138695494
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
The IUPAC name of N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane (CID 161237860) is N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane.
What is the SMILES notation for N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
The canonical SMILES for N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane is CC.Cc1cc(-c2nc(C(=O)Nc3cn(C4CCN(C)CC4)nc3C(N)=O)co2)ccn1.
What is the InChIKey of N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
The InChIKey is UZPMPNXTPACYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3.C2H6/c1-12-9-13(3-6-22-12)20-24-16(11-30-20)19(29)23-15-10-27(25-17(15)18(21)28)14-4-7-26(2)8-5-14;1-2/h3,6,9-11,14H,4-5,7-8H2,1-2H3,(H2,21,28)(H,23,29);1-2H3.
What are the key properties of N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane?
N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane has a molecular weight of 439.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane is sourced from PubChem (CID 161237860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).