1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one

C27H38N8O2 — CID 118627799

About 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one

1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 118627799) has the molecular formula C27H38N8O2 and a molecular weight of 506.66 g/mol. Its IUPAC name is 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
• PubChem CID: 118627799
• Molecular Formula: C27H38N8O2
• Molecular Weight: 506.66 g/mol
• Exact Mass: 506.31
• IUPAC Name: 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCN(C(=O)[C@H]2CCCN2c2nc3c(c(Nc4cc(C5CCCC5)[nH]n4)n2)CCC3)CC1
• InChI: InChI=1S/C27H38N8O2/c1-2-24(36)33-13-15-34(16-14-33)26(37)22-11-6-12-35(22)27-28-20-10-5-9-19(20)25(30-27)29-23-17-21(31-32-23)18-7-3-4-8-18/h17-18,22H,2-16H2,1H3,(H2,28,29,30,31,32)/t22-/m1/s1
• InChIKey: PXZFBXPYOXRAAO-JOCHJYFZSA-N
• XLogP: 3.14
• TPSA: 110.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.66
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

The IUPAC name of 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one (CID 118627799) is 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)[C@H]2CCCN2c2nc3c(c(Nc4cc(C5CCCC5)[nH]n4)n2)CCC3)CC1.

What is the InChIKey of 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

The InChIKey is PXZFBXPYOXRAAO-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H38N8O2/c1-2-24(36)33-13-15-34(16-14-33)26(37)22-11-6-12-35(22)27-28-20-10-5-9-19(20)25(30-27)29-23-17-21(31-32-23)18-7-3-4-8-18/h17-18,22H,2-16H2,1H3,(H2,28,29,30,31,32)/t22-/m1/s1.

What are the key properties of 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 506.66 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 118627799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).