[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C24H28N8O — CID 90258690

IUPAC[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nc2c(c(Nc3cc(-c4ccccn4)[nH]n3)n1)CCC2)N1CCCC1
InChIInChI=1S/C24H28N8O/c33-23(31-12-3-4-13-31)20-10-6-14-32(20)24-26-17-9-5-7-16(17)22(28-24)27-21-15-19(29-30-21)18-8-1-2-11-25-18/h1-2,8,11,15,20H,3-7,9-10,12-14H2,(H2,26,27,28,29,30)/t20-/m1/s1
InChIKeyIQTHPRVDJBGEAC-HXUWFJFHSA-N
MW444.54 g/mol
LogP3.09
Rot. Bonds5

About [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 90258690) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID90258690
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nc2c(c(Nc3cc(-c4ccccn4)[nH]n3)n1)CCC2)N1CCCC1
InChIInChI=1S/C24H28N8O/c33-23(31-12-3-4-13-31)20-10-6-14-32(20)24-26-17-9-5-7-16(17)22(28-24)27-21-15-19(29-30-21)18-8-1-2-11-25-18/h1-2,8,11,15,20H,3-7,9-10,12-14H2,(H2,26,27,28,29,30)/t20-/m1/s1
InChIKeyIQTHPRVDJBGEAC-HXUWFJFHSA-N
XLogP3.09
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-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-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 90258690) is [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CCCN1c1nc2c(c(Nc3cc(-c4ccccn4)[nH]n3)n1)CCC2)N1CCCC1.
What is the InChIKey of [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IQTHPRVDJBGEAC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N8O/c33-23(31-12-3-4-13-31)20-10-6-14-32(20)24-26-17-9-5-7-16(17)22(28-24)27-21-15-19(29-30-21)18-8-1-2-11-25-18/h1-2,8,11,15,20H,3-7,9-10,12-14H2,(H2,26,27,28,29,30)/t20-/m1/s1.
What are the key properties of [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 444.54 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[(5-pyridin-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 90258690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).