[(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

C25H35N7O — CID 90258791

IUPAC[(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nc2c(c(Nc3ncc(C4CCCC4)[nH]3)n1)CCC2)N1CCCCC1
InChIInChI=1S/C25H35N7O/c33-23(31-13-4-1-5-14-31)21-12-7-15-32(21)25-28-19-11-6-10-18(19)22(30-25)29-24-26-16-20(27-24)17-8-2-3-9-17/h16-17,21H,1-15H2,(H2,26,27,28,29,30)/t21-/m1/s1
InChIKeyXBUMBTAULCGNGE-OAQYLSRUSA-N
MW449.60 g/mol
LogP4.07
Rot. Bonds5

About [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 90258791) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID90258791
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name[(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nc2c(c(Nc3ncc(C4CCCC4)[nH]3)n1)CCC2)N1CCCCC1
InChIInChI=1S/C25H35N7O/c33-23(31-13-4-1-5-14-31)21-12-7-15-32(21)25-28-19-11-6-10-18(19)22(30-25)29-24-26-16-20(27-24)17-8-2-3-9-17/h16-17,21H,1-15H2,(H2,26,27,28,29,30)/t21-/m1/s1
InChIKeyXBUMBTAULCGNGE-OAQYLSRUSA-N
XLogP4.07
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 90258791) is [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C([C@H]1CCCN1c1nc2c(c(Nc3ncc(C4CCCC4)[nH]3)n1)CCC2)N1CCCCC1.
What is the InChIKey of [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is XBUMBTAULCGNGE-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H35N7O/c33-23(31-13-4-1-5-14-31)21-12-7-15-32(21)25-28-19-11-6-10-18(19)22(30-25)29-24-26-16-20(27-24)17-8-2-3-9-17/h16-17,21H,1-15H2,(H2,26,27,28,29,30)/t21-/m1/s1.
What are the key properties of [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 449.60 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[(5-cyclopentyl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 90258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).