(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide

C21H24N8O2 — CID 129114235

About (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 129114235) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 129114235
• Molecular Formula: C21H24N8O2
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.20
• IUPAC Name: (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ncco1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2
• InChI: InChI=1S/C21H24N8O2/c30-19(26-21-22-8-10-31-21)16-5-2-9-29(16)20-23-14-4-1-3-13(14)18(25-20)24-17-11-15(27-28-17)12-6-7-12/h8,10-12,16H,1-7,9H2,(H,22,26,30)(H2,23,24,25,27,28)/t16-/m0/s1
• InChIKey: KDMFEWAWZOFOCZ-INIZCTEOSA-N
• XLogP: 2.90
• TPSA: 124.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide (CID 129114235) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1ncco1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2.

What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide?

The InChIKey is KDMFEWAWZOFOCZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N8O2/c30-19(26-21-22-8-10-31-21)16-5-2-9-29(16)20-23-14-4-1-3-13(14)18(25-20)24-17-11-15(27-28-17)12-6-7-12/h8,10-12,16H,1-7,9H2,(H,22,26,30)(H2,23,24,25,27,28)/t16-/m0/s1.

What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide?

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-oxazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).