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

C22H26ClN7OS — CID 118640243

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

N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 118640243) has the molecular formula C22H26ClN7OS and a molecular weight of 472.02 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 118640243
• Molecular Formula: C22H26ClN7OS
• Molecular Weight: 472.02 g/mol
• Exact Mass: 471.16
• IUPAC Name: N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• SMILES: CC(C)c1cc(Nc2nc(N3CCCC3C(=O)Nc3ccc(Cl)s3)nc3c2CCC3)n[nH]1
• InChI: InChI=1S/C22H26ClN7OS/c1-12(2)15-11-18(29-28-15)25-20-13-5-3-6-14(13)24-22(27-20)30-10-4-7-16(30)21(31)26-19-9-8-17(23)32-19/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)
• InChIKey: XEHRIQTTXPWCIN-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.02
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 118640243) is N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is CC(C)c1cc(Nc2nc(N3CCCC3C(=O)Nc3ccc(Cl)s3)nc3c2CCC3)n[nH]1.

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

The InChIKey is XEHRIQTTXPWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7OS/c1-12(2)15-11-18(29-28-15)25-20-13-5-3-6-14(13)24-22(27-20)30-10-4-7-16(30)21(31)26-19-9-8-17(23)32-19/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,26,31)(H2,24,25,27,28,29).

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

N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 472.02 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chlorothiophen-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118640243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).