N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide

C20H23N7O2S — CID 118060937

IUPACN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCNc1cc(-c2ncc(C(=O)Nc3cn(C)nc3N3CCC(C)(C)C3=O)s2)ccn1
InChIInChI=1S/C20H23N7O2S/c1-20(2)6-8-27(19(20)29)16-13(11-26(4)25-16)24-17(28)14-10-23-18(30-14)12-5-7-22-15(9-12)21-3/h5,7,9-11H,6,8H2,1-4H3,(H,21,22)(H,24,28)
InChIKeyAACAWZHOVGTFLV-UHFFFAOYSA-N
MW425.52 g/mol
LogP3.00
Rot. Bonds5

About N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 118060937) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID118060937
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCNc1cc(-c2ncc(C(=O)Nc3cn(C)nc3N3CCC(C)(C)C3=O)s2)ccn1
InChIInChI=1S/C20H23N7O2S/c1-20(2)6-8-27(19(20)29)16-13(11-26(4)25-16)24-17(28)14-10-23-18(30-14)12-5-7-22-15(9-12)21-3/h5,7,9-11H,6,8H2,1-4H3,(H,21,22)(H,24,28)
InChIKeyAACAWZHOVGTFLV-UHFFFAOYSA-N
XLogP3.00
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118061048
N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327424
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118060953
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 118061161
6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide
CID 118061205
2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 118061263
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 118061324
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166217040
2-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 167878705
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide
CID 118062961
2-(1-methylpyrazol-4-yl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 99122315
N-[1-methyl-3-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118061063

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide (CID 118060937) is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide is CNc1cc(-c2ncc(C(=O)Nc3cn(C)nc3N3CCC(C)(C)C3=O)s2)ccn1.
What is the InChIKey of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AACAWZHOVGTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S/c1-20(2)6-8-27(19(20)29)16-13(11-26(4)25-16)24-17(28)14-10-23-18(30-14)12-5-7-22-15(9-12)21-3/h5,7,9-11H,6,8H2,1-4H3,(H,21,22)(H,24,28).
What are the key properties of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118060937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).