N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25FN6O2 — CID 67501808

IUPACN-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1
InChIInChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30)/t13-,18+/m0/s1
InChIKeyISCJKTYZQXHEBM-SCLBCKFNSA-N
MW424.48 g/mol
LogP2.44
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501808) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501808
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1
InChIInChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30)/t13-,18+/m0/s1
InChIKeyISCJKTYZQXHEBM-SCLBCKFNSA-N
XLogP2.44
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501808) is N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ISCJKTYZQXHEBM-SCLBCKFNSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30)/t13-,18+/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).