N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide

C24H32N8OS — CID 57428516

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)C(C)N3CCC(N4CCCC4)CC3)nc(-c3nccs3)n2)n1
InChIInChI=1S/C24H32N8OS/c1-16-14-17(2)32(29-16)21-15-20(26-22(28-21)24-25-8-13-34-24)27-23(33)18(3)30-11-6-19(7-12-30)31-9-4-5-10-31/h8,13-15,18-19H,4-7,9-12H2,1-3H3,(H,26,27,28,33)
InChIKeyTUFOMKMGYDTIQW-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.29
Rot. Bonds6

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide (PubChem CID 57428516) has the molecular formula C24H32N8OS and a molecular weight of 480.64 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
PubChem CID57428516
Molecular FormulaC24H32N8OS
Molecular Weight480.64 g/mol
Exact Mass480.24
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)C(C)N3CCC(N4CCCC4)CC3)nc(-c3nccs3)n2)n1
InChIInChI=1S/C24H32N8OS/c1-16-14-17(2)32(29-16)21-15-20(26-22(28-21)24-25-8-13-34-24)27-23(33)18(3)30-11-6-19(7-12-30)31-9-4-5-10-31/h8,13-15,18-19H,4-7,9-12H2,1-3H3,(H,26,27,28,33)
InChIKeyTUFOMKMGYDTIQW-UHFFFAOYSA-N
XLogP3.29
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide (CID 57428516) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide is Cc1cc(C)n(-c2cc(NC(=O)C(C)N3CCC(N4CCCC4)CC3)nc(-c3nccs3)n2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The InChIKey is TUFOMKMGYDTIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8OS/c1-16-14-17(2)32(29-16)21-15-20(26-22(28-21)24-25-8-13-34-24)27-23(33)18(3)30-11-6-19(7-12-30)31-9-4-5-10-31/h8,13-15,18-19H,4-7,9-12H2,1-3H3,(H,26,27,28,33).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide has a molecular weight of 480.64 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 57428516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).