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

C24H28N8O2S — CID 57428471

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCN3CCN(c4nccs4)CC3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C24H28N8O2S/c1-16-14-17(2)32(29-16)21-15-20(27-23(28-21)19-5-4-18(3)34-19)26-22(33)6-8-30-9-11-31(12-10-30)24-25-7-13-35-24/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,26,27,28,33)
InChIKeyYDTHIUFJZXOKSI-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.45
Rot. Bonds7

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

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (PubChem CID 57428471) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
PubChem CID57428471
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCN3CCN(c4nccs4)CC3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C24H28N8O2S/c1-16-14-17(2)32(29-16)21-15-20(27-23(28-21)19-5-4-18(3)34-19)26-22(33)6-8-30-9-11-31(12-10-30)24-25-7-13-35-24/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,26,27,28,33)
InChIKeyYDTHIUFJZXOKSI-UHFFFAOYSA-N
XLogP3.45
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide (CID 57428471) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is Cc1cc(C)n(-c2cc(NC(=O)CCN3CCN(c4nccs4)CC3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
The InChIKey is YDTHIUFJZXOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-16-14-17(2)32(29-16)21-15-20(27-23(28-21)19-5-4-18(3)34-19)26-22(33)6-8-30-9-11-31(12-10-30)24-25-7-13-35-24/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,26,27,28,33).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide has a molecular weight of 492.61 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 57428471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).