2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H41ClN8O — CID 137284549

About 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284549) has the molecular formula C27H41ClN8O and a molecular weight of 529.13 g/mol. Its IUPAC name is 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137284549
• Molecular Formula: C27H41ClN8O
• Molecular Weight: 529.13 g/mol
• Exact Mass: 528.31
• IUPAC Name: 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCN(c2ccncc2NC(=O)c2c(N)nn3c2NCC(Cl)C3C2CCCCCCCCC2)CC1
• InChI: InChI=1S/C27H41ClN8O/c1-34-13-15-35(16-14-34)22-11-12-30-18-21(22)32-27(37)23-25(29)33-36-24(20(28)17-31-26(23)36)19-9-7-5-3-2-4-6-8-10-19/h11-12,18-20,24,31H,2-10,13-17H2,1H3,(H2,29,33)(H,32,37)
• InChIKey: ZBPKRTQFEXJKFH-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 104.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.13
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284549) is 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2ccncc2NC(=O)c2c(N)nn3c2NCC(Cl)C3C2CCCCCCCCC2)CC1.

What is the InChIKey of 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZBPKRTQFEXJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41ClN8O/c1-34-13-15-35(16-14-34)22-11-12-30-18-21(22)32-27(37)23-25(29)33-36-24(20(28)17-31-26(23)36)19-9-7-5-3-2-4-6-8-10-19/h11-12,18-20,24,31H,2-10,13-17H2,1H3,(H2,29,33)(H,32,37).

What are the key properties of 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 529.13 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-chloro-7-cyclodecyl-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).