4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one

C24H32FN5O — CID 24782570

IUPAC4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one
SMILESC[C@@H]1CCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(F)cc4)CC3)c21
InChIInChI=1S/C24H32FN5O/c1-16-4-9-20-21(16)22(28-15-27-20)29-10-12-30(13-11-29)23(31)19(14-24(2,3)26)17-5-7-18(25)8-6-17/h5-8,15-16,19H,4,9-14,26H2,1-3H3/t16-,19?/m1/s1
InChIKeyXKSLAGGALABJSD-VTBWFHPJSA-N
MW425.55 g/mol
LogP3.23
Rot. Bonds5

About 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one

4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one (PubChem CID 24782570) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one
PubChem CID24782570
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one
SMILESC[C@@H]1CCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(F)cc4)CC3)c21
InChIInChI=1S/C24H32FN5O/c1-16-4-9-20-21(16)22(28-15-27-20)29-10-12-30(13-11-29)23(31)19(14-24(2,3)26)17-5-7-18(25)8-6-17/h5-8,15-16,19H,4,9-14,26H2,1-3H3/t16-,19?/m1/s1
InChIKeyXKSLAGGALABJSD-VTBWFHPJSA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one (CID 24782570) is 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one is C[C@@H]1CCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(F)cc4)CC3)c21.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is XKSLAGGALABJSD-VTBWFHPJSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-16-4-9-20-21(16)22(28-15-27-20)29-10-12-30(13-11-29)23(31)19(14-24(2,3)26)17-5-7-18(25)8-6-17/h5-8,15-16,19H,4,9-14,26H2,1-3H3/t16-,19?/m1/s1.
What are the key properties of 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one?
4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 425.55 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-4-methyl-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 24782570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).