N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21FN6O — CID 134386391

IUPACN-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3C3C=C(F)C=NC3)nc12
InChIInChI=1S/C19H21FN6O/c20-13-8-12(9-21-10-13)16-2-1-6-25(16)17-5-7-26-18(24-17)15(11-22-26)19(27)23-14-3-4-14/h5,7-8,10-12,14,16H,1-4,6,9H2,(H,23,27)/t12?,16-/m1/s1
InChIKeyUZWNFCCMJFDFKM-PVQCJRHBSA-N
MW368.42 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134386391) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134386391
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3C3C=C(F)C=NC3)nc12
InChIInChI=1S/C19H21FN6O/c20-13-8-12(9-21-10-13)16-2-1-6-25(16)17-5-7-26-18(24-17)15(11-22-26)19(27)23-14-3-4-14/h5,7-8,10-12,14,16H,1-4,6,9H2,(H,23,27)/t12?,16-/m1/s1
InChIKeyUZWNFCCMJFDFKM-PVQCJRHBSA-N
XLogP2.14
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134386391) is N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3C3C=C(F)C=NC3)nc12.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UZWNFCCMJFDFKM-PVQCJRHBSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-13-8-12(9-21-10-13)16-2-1-6-25(16)17-5-7-26-18(24-17)15(11-22-26)19(27)23-14-3-4-14/h5,7-8,10-12,14,16H,1-4,6,9H2,(H,23,27)/t12?,16-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-(5-fluoro-2,3-dihydropyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134386391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).