N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H30N8O3S — CID 167138659

IUPACN-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(C(=O)NCCN2CCCOCC2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C24H30N8O3S/c1-16-20(10-17(11-26-16)22(33)25-4-6-31-5-3-8-35-9-7-31)29-23(34)19-13-28-32-15-21(36-24(19)32)18-12-27-30(2)14-18/h10-16,26H,3-9H2,1-2H3,(H,25,33)(H,29,34)
InChIKeyBQAQCJWNANPENJ-UHFFFAOYSA-N
MW510.62 g/mol
LogP1.12
Rot. Bonds7

About N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138659) has the molecular formula C24H30N8O3S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167138659
Molecular FormulaC24H30N8O3S
Molecular Weight510.62 g/mol
Exact Mass510.22
IUPAC NameN-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(C(=O)NCCN2CCCOCC2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C24H30N8O3S/c1-16-20(10-17(11-26-16)22(33)25-4-6-31-5-3-8-35-9-7-31)29-23(34)19-13-28-32-15-21(36-24(19)32)18-12-27-30(2)14-18/h10-16,26H,3-9H2,1-2H3,(H,25,33)(H,29,34)
InChIKeyBQAQCJWNANPENJ-UHFFFAOYSA-N
XLogP1.12
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167139062
N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138708
N-[5-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138837
N-[5-[[2-(cyclobutylamino)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167139826
2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548391
3-[1-[6-[(Z)-1-amino-3-(2-aminoethylimino)prop-1-en-2-yl]-4-propylpyrrolo[1,2-b]pyridazin-3-yl]ethenylamino]-2-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridine-5-carboxamide;ethane;propane
CID 171620221
2-bromo-N-[2-methyl-5-[[2-(2-methylmorpholin-4-yl)acetyl]amino]-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548196
N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547367
N-[5-[2-(azepan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547198
2-bromo-N-[2-methyl-5-[(1-propan-2-ylpiperidin-4-yl)methylcarbamoylamino]-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167138675
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547372
N-[2-methyl-5-(methylcarbamoyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547259

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138659) is N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(C(=O)NCCN2CCCOCC2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.
What is the InChIKey of N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is BQAQCJWNANPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3S/c1-16-20(10-17(11-26-16)22(33)25-4-6-31-5-3-8-35-9-7-31)29-23(34)19-13-28-32-15-21(36-24(19)32)18-12-27-30(2)14-18/h10-16,26H,3-9H2,1-2H3,(H,25,33)(H,29,34).
What are the key properties of N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[2-(1,4-oxazepan-4-yl)ethylcarbamoyl]-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).