N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H25F2N9O3 — CID 164729976

About N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164729976) has the molecular formula C26H25F2N9O3 and a molecular weight of 549.54 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164729976
• Molecular Formula: C26H25F2N9O3
• Molecular Weight: 549.54 g/mol
• Exact Mass: 549.20
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CC[C@H](n2cc(Oc3ccc(OC(F)F)c(-c4nn(C)cc4NC(=O)c4cnn5cccnc45)c3)cn2)C1
• InChI: InChI=1S/C26H25F2N9O3/c1-34-9-6-16(13-34)37-14-18(11-30-37)39-17-4-5-22(40-26(27)28)19(10-17)23-21(15-35(2)33-23)32-25(38)20-12-31-36-8-3-7-29-24(20)36/h3-5,7-8,10-12,14-16,26H,6,9,13H2,1-2H3,(H,32,38)/t16-/m0/s1
• InChIKey: GAFWBSBGGYQZKE-INIZCTEOSA-N
• XLogP: 3.85
• TPSA: 116.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.54
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164729976) is N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@H](n2cc(Oc3ccc(OC(F)F)c(-c4nn(C)cc4NC(=O)c4cnn5cccnc45)c3)cn2)C1.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GAFWBSBGGYQZKE-INIZCTEOSA-N. The full InChI is InChI=1S/C26H25F2N9O3/c1-34-9-6-16(13-34)37-14-18(11-30-37)39-17-4-5-22(40-26(27)28)19(10-17)23-21(15-35(2)33-23)32-25(38)20-12-31-36-8-3-7-29-24(20)36/h3-5,7-8,10-12,14-16,26H,6,9,13H2,1-2H3,(H,32,38)/t16-/m0/s1.

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 549.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164729976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).