N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17N5O2S — CID 125015720

IUPACN-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4cccs4)C3)ccnc12
InChIInChI=1S/C17H17N5O2S/c1-18-16(23)12-9-20-22-13(4-6-19-15(12)22)11-5-7-21(10-11)17(24)14-3-2-8-25-14/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,23)/t11-/m1/s1
InChIKeyWVRQLYNVECBPCP-LLVKDONJSA-N
MW355.42 g/mol
LogP1.78
Rot. Bonds3

About N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 125015720) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID125015720
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4cccs4)C3)ccnc12
InChIInChI=1S/C17H17N5O2S/c1-18-16(23)12-9-20-22-13(4-6-19-15(12)22)11-5-7-21(10-11)17(24)14-3-2-8-25-14/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,23)/t11-/m1/s1
InChIKeyWVRQLYNVECBPCP-LLVKDONJSA-N
XLogP1.78
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-acetylpiperidin-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101018
N-methyl-7-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964829
N-methyl-7-[1-(quinoline-2-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110565
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110592
N-methyl-7-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124987425
N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124975853
N,N-dimethyl-7-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124979301
(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110110280
N-methyl-7-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124952194
thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214031
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125004821
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 125015720) is N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c([C@@H]3CCN(C(=O)c4cccs4)C3)ccnc12.
What is the InChIKey of N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WVRQLYNVECBPCP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-18-16(23)12-9-20-22-13(4-6-19-15(12)22)11-5-7-21(10-11)17(24)14-3-2-8-25-14/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,18,23)/t11-/m1/s1.
What are the key properties of N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 125015720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).