N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15F3N6O — CID 71526583

IUPACN-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn2ccc(N3CCC[C@H]3C(F)(F)F)nc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)12-4-3-8-25(12)14-6-9-26-15(24-14)11(10-22-26)16(27)23-13-5-1-2-7-21-13/h1-2,5-7,9-10,12H,3-4,8H2,(H,21,23,27)/t12-/m0/s1
InChIKeyRLYKMJKVYHILGN-LBPRGKRZSA-N
MW376.34 g/mol
LogP2.91
Rot. Bonds3

About N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71526583) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71526583
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC NameN-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn2ccc(N3CCC[C@H]3C(F)(F)F)nc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)12-4-3-8-25(12)14-6-9-26-15(24-14)11(10-22-26)16(27)23-13-5-1-2-7-21-13/h1-2,5-7,9-10,12H,3-4,8H2,(H,21,23,27)/t12-/m0/s1
InChIKeyRLYKMJKVYHILGN-LBPRGKRZSA-N
XLogP2.91
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71526583) is N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccn1)c1cnn2ccc(N3CCC[C@H]3C(F)(F)F)nc12.
What is the InChIKey of N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RLYKMJKVYHILGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)12-4-3-8-25(12)14-6-9-26-15(24-14)11(10-22-26)16(27)23-13-5-1-2-7-21-13/h1-2,5-7,9-10,12H,3-4,8H2,(H,21,23,27)/t12-/m0/s1.
What are the key properties of N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71526583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).