N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H33N7O3 — CID 129297042

About N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297042) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129297042
• Molecular Formula: C27H33N7O3
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.26
• IUPAC Name: N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C(=O)NC1CC1)N1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1
• InChI: InChI=1S/C27H33N7O3/c1-17(25(35)30-19-5-6-19)32-9-11-33(12-10-32)22-14-23-18(15-27(2,3)37-23)13-21(22)31-26(36)20-16-29-34-8-4-7-28-24(20)34/h4,7-8,13-14,16-17,19H,5-6,9-12,15H2,1-3H3,(H,30,35)(H,31,36)
• InChIKey: ZOMIAXNEULMLDS-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297042) is N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C(=O)NC1CC1)N1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(C)(C)O3)CC1.

What is the InChIKey of N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZOMIAXNEULMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-17(25(35)30-19-5-6-19)32-9-11-33(12-10-32)22-14-23-18(15-27(2,3)37-23)13-21(22)31-26(36)20-16-29-34-8-4-7-28-24(20)34/h4,7-8,13-14,16-17,19H,5-6,9-12,15H2,1-3H3,(H,30,35)(H,31,36).

What are the key properties of N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).