N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide

C22H26F2N6O2 — CID 175635229

About N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide

N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 175635229) has the molecular formula C22H26F2N6O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
• PubChem CID: 175635229
• Molecular Formula: C22H26F2N6O2
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.21
• IUPAC Name: N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
• SMILES: CC1CC(F)=C(C2CCCN2c2ccn3ncc(NC(=O)N4CCC(O)C4)c3n2)C=C1F
• InChI: InChI=1S/C22H26F2N6O2/c1-13-9-17(24)15(10-16(13)23)19-3-2-6-29(19)20-5-8-30-21(27-20)18(11-25-30)26-22(32)28-7-4-14(31)12-28/h5,8,10-11,13-14,19,31H,2-4,6-7,9,12H2,1H3,(H,26,32)
• InChIKey: JICMYBZJTZXJDU-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 86.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?

The IUPAC name of N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 175635229) is N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide.

What is the SMILES notation for N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?

The canonical SMILES for N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide is CC1CC(F)=C(C2CCCN2c2ccn3ncc(NC(=O)N4CCC(O)C4)c3n2)C=C1F.

What is the InChIKey of N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?

The InChIKey is JICMYBZJTZXJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O2/c1-13-9-17(24)15(10-16(13)23)19-3-2-6-29(19)20-5-8-30-21(27-20)18(11-25-30)26-22(32)28-7-4-14(31)12-28/h5,8,10-11,13-14,19,31H,2-4,6-7,9,12H2,1H3,(H,26,32).

What are the key properties of N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide?

N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 175635229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).