N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C24H29N7O3S — CID 59209796

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CCC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1
InChIInChI=1S/C24H29N7O3S/c1-15-13-16(2)31(29-15)22-18(5-4-10-26-22)27-23(34)19-14-35-24(28-19)17-8-11-30(12-9-17)21(33)7-6-20(32)25-3/h4-5,10,13-14,17H,6-9,11-12H2,1-3H3,(H,25,32)(H,27,34)
InChIKeyRGCHAZCYLZANBA-UHFFFAOYSA-N
MW495.61 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209796) has the molecular formula C24H29N7O3S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59209796
Molecular FormulaC24H29N7O3S
Molecular Weight495.61 g/mol
Exact Mass495.21
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CCC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1
InChIInChI=1S/C24H29N7O3S/c1-15-13-16(2)31(29-15)22-18(5-4-10-26-22)27-23(34)19-14-35-24(28-19)17-8-11-30(12-9-17)21(33)7-6-20(32)25-3/h4-5,10,13-14,17H,6-9,11-12H2,1-3H3,(H,25,32)(H,27,34)
InChIKeyRGCHAZCYLZANBA-UHFFFAOYSA-N
XLogP2.83
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(ethylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209268
but-3-enyl 4-[4-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59209211
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209180
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(1-pent-4-enylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 89200200
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209179
N-[2-(4-fluorophenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209865
N-[2-(4-ethylphenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209045
2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-N-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59208769
heptane;N-(2-methylphenyl)-2-[1-(4-oxopentanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982967
methyl 4-[4-[4-[[2-(4-methylcyclohexyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 142983097
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209796) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is CNC(=O)CCC(=O)N1CCC(c2nc(C(=O)Nc3cccnc3-n3nc(C)cc3C)cs2)CC1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RGCHAZCYLZANBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S/c1-15-13-16(2)31(29-15)22-18(5-4-10-26-22)27-23(34)19-14-35-24(28-19)17-8-11-30(12-9-17)21(33)7-6-20(32)25-3/h4-5,10,13-14,17H,6-9,11-12H2,1-3H3,(H,25,32)(H,27,34).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).