5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C25H24N10O3S — CID 126671559

IUPAC5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cn2nc(C(N)=O)c3sc(-c4cnc5cc(C)nn5c4)nc32)n1
InChIInChI=1S/C25H24N10O3S/c1-13-5-3-7-17(28-13)29-24(38)16-6-4-8-33(16)19(36)12-35-23-21(20(32-35)22(26)37)39-25(30-23)15-10-27-18-9-14(2)31-34(18)11-15/h3,5,7,9-11,16H,4,6,8,12H2,1-2H3,(H2,26,37)(H,28,29,38)/t16-/m0/s1
InChIKeyARGQWDAVYLSHEQ-INIZCTEOSA-N
MW544.60 g/mol
LogP1.94
Rot. Bonds6

About 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 126671559) has the molecular formula C25H24N10O3S and a molecular weight of 544.60 g/mol. Its IUPAC name is 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID126671559
Molecular FormulaC25H24N10O3S
Molecular Weight544.60 g/mol
Exact Mass544.18
IUPAC Name5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cn2nc(C(N)=O)c3sc(-c4cnc5cc(C)nn5c4)nc32)n1
InChIInChI=1S/C25H24N10O3S/c1-13-5-3-7-17(28-13)29-24(38)16-6-4-8-33(16)19(36)12-35-23-21(20(32-35)22(26)37)39-25(30-23)15-10-27-18-9-14(2)31-34(18)11-15/h3,5,7,9-11,16H,4,6,8,12H2,1-2H3,(H2,26,37)(H,28,29,38)/t16-/m0/s1
InChIKeyARGQWDAVYLSHEQ-INIZCTEOSA-N
XLogP1.94
TPSA166.29 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.60
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 126671559) is 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Cn2nc(C(N)=O)c3sc(-c4cnc5cc(C)nn5c4)nc32)n1.
What is the InChIKey of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is ARGQWDAVYLSHEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24N10O3S/c1-13-5-3-7-17(28-13)29-24(38)16-6-4-8-33(16)19(36)12-35-23-21(20(32-35)22(26)37)39-25(30-23)15-10-27-18-9-14(2)31-34(18)11-15/h3,5,7,9-11,16H,4,6,8,12H2,1-2H3,(H2,26,37)(H,28,29,38)/t16-/m0/s1.
What are the key properties of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 544.60 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 126671559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).