N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26N8OS — CID 90272407

IUPACN-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(Cc4cscn4)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C26H26N8OS/c1-18-3-5-21(6-4-18)34-24(30-26(35)22-14-29-33-10-2-9-27-25(22)33)13-23(31-34)19-7-11-32(12-8-19)15-20-16-36-17-28-20/h2-6,9-10,13-14,16-17,19H,7-8,11-12,15H2,1H3,(H,30,35)
InChIKeyHDCFSHDAUIRFHY-UHFFFAOYSA-N
MW498.62 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90272407) has the molecular formula C26H26N8OS and a molecular weight of 498.62 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90272407
Molecular FormulaC26H26N8OS
Molecular Weight498.62 g/mol
Exact Mass498.20
IUPAC NameN-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(Cc4cscn4)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C26H26N8OS/c1-18-3-5-21(6-4-18)34-24(30-26(35)22-14-29-33-10-2-9-27-25(22)33)13-23(31-34)19-7-11-32(12-8-19)15-20-16-36-17-28-20/h2-6,9-10,13-14,16-17,19H,7-8,11-12,15H2,1H3,(H,30,35)
InChIKeyHDCFSHDAUIRFHY-UHFFFAOYSA-N
XLogP4.31
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90272407) is N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(Cc4cscn4)CC3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HDCFSHDAUIRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8OS/c1-18-3-5-21(6-4-18)34-24(30-26(35)22-14-29-33-10-2-9-27-25(22)33)13-23(31-34)19-7-11-32(12-8-19)15-20-16-36-17-28-20/h2-6,9-10,13-14,16-17,19H,7-8,11-12,15H2,1H3,(H,30,35).
What are the key properties of N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90272407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).