N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N6OS — CID 110101005

IUPACN,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncsc1CN1CCC(c2ccnc3c(C(=O)N(C)C)cnn23)C1
InChIInChI=1S/C18H22N6OS/c1-12-16(26-11-20-12)10-23-7-5-13(9-23)15-4-6-19-17-14(8-21-24(15)17)18(25)22(2)3/h4,6,8,11,13H,5,7,9-10H2,1-3H3
InChIKeyINBOVTAGYXITCV-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.19
Rot. Bonds4

About N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110101005) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110101005
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncsc1CN1CCC(c2ccnc3c(C(=O)N(C)C)cnn23)C1
InChIInChI=1S/C18H22N6OS/c1-12-16(26-11-20-12)10-23-7-5-13(9-23)15-4-6-19-17-14(8-21-24(15)17)18(25)22(2)3/h4,6,8,11,13H,5,7,9-10H2,1-3H3
InChIKeyINBOVTAGYXITCV-UHFFFAOYSA-N
XLogP2.19
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-7-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124968986
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
N,N-dimethyl-7-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124992229
N,N-dimethyl-7-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124979301
N,N-dimethyl-7-[1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110702
7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255
7-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124959760
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125023570
N,N-dimethyl-7-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124941229
N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101042
N-methyl-7-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124987425

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110101005) is N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncsc1CN1CCC(c2ccnc3c(C(=O)N(C)C)cnn23)C1.
What is the InChIKey of N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is INBOVTAGYXITCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12-16(26-11-20-12)10-23-7-5-13(9-23)15-4-6-19-17-14(8-21-24(15)17)18(25)22(2)3/h4,6,8,11,13H,5,7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110101005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).