7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide

C29H39ClN6O — CID 66550071

About 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide

7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 66550071) has the molecular formula C29H39ClN6O and a molecular weight of 523.13 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

• Compound Name: 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide
• PubChem CID: 66550071
• Molecular Formula: C29H39ClN6O
• Molecular Weight: 523.13 g/mol
• Exact Mass: 522.29
• IUPAC Name: 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide
• SMILES: CN1CC[C@H](NC(=O)C2CC3(CCN(C4=NN(c5ccc(C#N)c(Cl)c5)C(C5CCCC5)C4)CC3)C2)C1
• InChI: InChI=1S/C29H39ClN6O/c1-34-11-8-23(19-34)32-28(37)22-16-29(17-22)9-12-35(13-10-29)27-15-26(20-4-2-3-5-20)36(33-27)24-7-6-21(18-31)25(30)14-24/h6-7,14,20,22-23,26H,2-5,8-13,15-17,19H2,1H3,(H,32,37)/t23-,26?/m0/s1
• InChIKey: XURWDEMOYUZHAM-ZZHFZYNASA-N
• XLogP: 4.61
• TPSA: 74.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.13
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide?

The IUPAC name of 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide (CID 66550071) is 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide.

What is the SMILES notation for 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide?

The canonical SMILES for 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide is CN1CC[C@H](NC(=O)C2CC3(CCN(C4=NN(c5ccc(C#N)c(Cl)c5)C(C5CCCC5)C4)CC3)C2)C1.

What is the InChIKey of 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide?

The InChIKey is XURWDEMOYUZHAM-ZZHFZYNASA-N. The full InChI is InChI=1S/C29H39ClN6O/c1-34-11-8-23(19-34)32-28(37)22-16-29(17-22)9-12-35(13-10-29)27-15-26(20-4-2-3-5-20)36(33-27)24-7-6-21(18-31)25(30)14-24/h6-7,14,20,22-23,26H,2-5,8-13,15-17,19H2,1H3,(H,32,37)/t23-,26?/m0/s1.

What are the key properties of 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide?

7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 523.13 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 66550071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).