(2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide

C25H35N7O — CID 129114964

About (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide

(2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 129114964) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
• PubChem CID: 129114964
• Molecular Formula: C25H35N7O
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.29
• IUPAC Name: (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide
• SMILES: CCN(CC)C(=O)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4CC5CC5C4)[nH]n3)n1)CCC2
• InChI: InChI=1S/C25H35N7O/c1-3-31(4-2)24(33)21-9-6-10-32(21)25-26-19-8-5-7-18(19)23(28-25)27-22-14-20(29-30-22)17-12-15-11-16(15)13-17/h14-17,21H,3-13H2,1-2H3,(H2,26,27,28,29,30)/t15?,16?,17?,21-/m1/s1
• InChIKey: RLNKEXACRDXWEC-TXRRYJPOSA-N
• XLogP: 3.78
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide (CID 129114964) is (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4CC5CC5C4)[nH]n3)n1)CCC2.

What is the InChIKey of (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?

The InChIKey is RLNKEXACRDXWEC-TXRRYJPOSA-N. The full InChI is InChI=1S/C25H35N7O/c1-3-31(4-2)24(33)21-9-6-10-32(21)25-26-19-8-5-7-18(19)23(28-25)27-22-14-20(29-30-22)17-12-15-11-16(15)13-17/h14-17,21H,3-13H2,1-2H3,(H2,26,27,28,29,30)/t15?,16?,17?,21-/m1/s1.

What are the key properties of (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide?

(2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[[5-(3-bicyclo[3.1.0]hexanyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 129114964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).