N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H16FN5O — CID 125421805

IUPACN-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)N[C@H](C)c3ncccc3F)c(C)n2n1
InChIInChI=1S/C16H16FN5O/c1-9-7-14-19-8-12(11(3)22(14)21-9)16(23)20-10(2)15-13(17)5-4-6-18-15/h4-8,10H,1-3H3,(H,20,23)/t10-/m1/s1
InChIKeyUPLVMQKGCSOJPE-SNVBAGLBSA-N
MW313.34 g/mol
LogP2.37
Rot. Bonds3

About N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 125421805) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID125421805
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)N[C@H](C)c3ncccc3F)c(C)n2n1
InChIInChI=1S/C16H16FN5O/c1-9-7-14-19-8-12(11(3)22(14)21-9)16(23)20-10(2)15-13(17)5-4-6-18-15/h4-8,10H,1-3H3,(H,20,23)/t10-/m1/s1
InChIKeyUPLVMQKGCSOJPE-SNVBAGLBSA-N
XLogP2.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
7-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56869323
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641626
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641461
2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5097942
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24655628
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 125421805) is N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)N[C@H](C)c3ncccc3F)c(C)n2n1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UPLVMQKGCSOJPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-9-7-14-19-8-12(11(3)22(14)21-9)16(23)20-10(2)15-13(17)5-4-6-18-15/h4-8,10H,1-3H3,(H,20,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 125421805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).