(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone

C25H26FN7O — CID 56926598

IUPAC(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone
SMILESCC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21
InChIInChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1
InChIKeyIRUKUIBQFXFZTM-IEBWSBKVSA-N
MW459.53 g/mol
LogP4.50
Rot. Bonds6

About (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone

(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone (PubChem CID 56926598) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone
PubChem CID56926598
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone
SMILESCC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21
InChIInChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1
InChIKeyIRUKUIBQFXFZTM-IEBWSBKVSA-N
XLogP4.50
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone with MolForge

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Related Compounds

Ribociclib
CID 44631912
(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[(3s,4r)-4-(4-Fluorophenyl)tetrahydrofuran-3-Yl]amino}pyrazin-2-Yl)methanone
CID 45139233
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-imidazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958791
Cyclopentyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746386
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
(2S)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 44431995

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone?
The IUPAC name of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone (CID 56926598) is (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone?
The canonical SMILES for (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone is CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21.
What is the InChIKey of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone?
The InChIKey is IRUKUIBQFXFZTM-IEBWSBKVSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1.
What are the key properties of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone?
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone has a molecular weight of 459.53 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-[[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]amino]pyrazin-2-yl]methanone is sourced from PubChem (CID 56926598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).