2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H15N5OS — CID 71930700

IUPAC2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSCc1ccnc(NC(=O)c2c(C)nn3cccnc23)c1
InChIInChI=1S/C15H15N5OS/c1-10-13(14-17-5-3-7-20(14)19-10)15(21)18-12-8-11(9-22-2)4-6-16-12/h3-8H,9H2,1-2H3,(H,16,18,21)
InChIKeySPOWOEOBSUFPHB-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71930700) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71930700
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSCc1ccnc(NC(=O)c2c(C)nn3cccnc23)c1
InChIInChI=1S/C15H15N5OS/c1-10-13(14-17-5-3-7-20(14)19-10)15(21)18-12-8-11(9-22-2)4-6-16-12/h3-8H,9H2,1-2H3,(H,16,18,21)
InChIKeySPOWOEOBSUFPHB-UHFFFAOYSA-N
XLogP2.55
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71930700) is 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CSCc1ccnc(NC(=O)c2c(C)nn3cccnc23)c1.
What is the InChIKey of 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPOWOEOBSUFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-13(14-17-5-3-7-20(14)19-10)15(21)18-12-8-11(9-22-2)4-6-16-12/h3-8H,9H2,1-2H3,(H,16,18,21).
What are the key properties of 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71930700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).