(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one

C25H30N6O — CID 92582613

IUPAC(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1
InChIInChI=1S/C25H30N6O/c1-18(19-9-4-3-5-10-19)24(32)31-16-8-11-22(31)23-20(17-29(2)28-23)21-12-13-26-25(27-21)30-14-6-7-15-30/h3-5,9-10,12-13,17-18,22H,6-8,11,14-16H2,1-2H3/t18-,22+/m0/s1
InChIKeyFUHWDVUZORAYFX-PGRDOPGGSA-N
MW430.56 g/mol
LogP3.94
Rot. Bonds5

About (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one

(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one (PubChem CID 92582613) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one
PubChem CID92582613
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1
InChIInChI=1S/C25H30N6O/c1-18(19-9-4-3-5-10-19)24(32)31-16-8-11-22(31)23-20(17-29(2)28-23)21-12-13-26-25(27-21)30-14-6-7-15-30/h3-5,9-10,12-13,17-18,22H,6-8,11,14-16H2,1-2H3/t18-,22+/m0/s1
InChIKeyFUHWDVUZORAYFX-PGRDOPGGSA-N
XLogP3.94
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 110236128
[(1R)-cyclohex-3-en-1-yl]-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 92566736
2-(2-methoxyphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566763
(3-methoxyphenyl)-[2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110236146
1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 92566750
2-(3-fluorophenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566757
[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 124910301
2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92566682
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 92566665
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
3-phenyl-1-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110236140
4-[3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92566725

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one (CID 92582613) is (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one is C[C@H](C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1.
What is the InChIKey of (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is FUHWDVUZORAYFX-PGRDOPGGSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18(19-9-4-3-5-10-19)24(32)31-16-8-11-22(31)23-20(17-29(2)28-23)21-12-13-26-25(27-21)30-14-6-7-15-30/h3-5,9-10,12-13,17-18,22H,6-8,11,14-16H2,1-2H3/t18-,22+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one?
(2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 430.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 92582613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).