[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C17H19N5O — CID 72932681

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESN[C@H]1CN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@@H]1C1CC1
InChIInChI=1S/C17H19N5O/c18-15-10-22(9-14(15)11-1-2-11)17(23)13-7-20-16(21-8-13)12-3-5-19-6-4-12/h3-8,11,14-15H,1-2,9-10,18H2/t14-,15+/m1/s1
InChIKeyKOYHUWSFQVJVHF-CABCVRRESA-N
MW309.37 g/mol
LogP1.35
Rot. Bonds3

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 72932681) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID72932681
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESN[C@H]1CN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@@H]1C1CC1
InChIInChI=1S/C17H19N5O/c18-15-10-22(9-14(15)11-1-2-11)17(23)13-7-20-16(21-8-13)12-3-5-19-6-4-12/h3-8,11,14-15H,1-2,9-10,18H2/t14-,15+/m1/s1
InChIKeyKOYHUWSFQVJVHF-CABCVRRESA-N
XLogP1.35
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 133115424
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 156605171
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 133123200
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 72882169
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72901260
[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70707917
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 97083074
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 156604295
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 72853307
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 72932681) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is N[C@H]1CN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@@H]1C1CC1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is KOYHUWSFQVJVHF-CABCVRRESA-N. The full InChI is InChI=1S/C17H19N5O/c18-15-10-22(9-14(15)11-1-2-11)17(23)13-7-20-16(21-8-13)12-3-5-19-6-4-12/h3-8,11,14-15H,1-2,9-10,18H2/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72932681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).