N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide

C24H28N6OS — CID 122635293

About N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide

N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide (PubChem CID 122635293) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide
• PubChem CID: 122635293
• Molecular Formula: C24H28N6OS
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.20
• IUPAC Name: N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide
• SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCC4)cc3)nc3c2C(C)CC3)n[nH]1
• InChI: InChI=1S/C24H28N6OS/c1-14-7-12-19-21(14)22(27-20-13-15(2)29-30-20)28-24(26-19)32-18-10-8-17(9-11-18)25-23(31)16-5-3-4-6-16/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
• InChIKey: SRRTWVXEZULZEI-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide?

The IUPAC name of N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide (CID 122635293) is N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide?

The canonical SMILES for N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CCCC4)cc3)nc3c2C(C)CC3)n[nH]1.

What is the InChIKey of N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide?

The InChIKey is SRRTWVXEZULZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-14-7-12-19-21(14)22(27-20-13-15(2)29-30-20)28-24(26-19)32-18-10-8-17(9-11-18)25-23(31)16-5-3-4-6-16/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,25,31)(H2,26,27,28,29,30).

What are the key properties of N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide?

N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide has a molecular weight of 448.60 g/mol, XLogP of 5.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 122635293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).