6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine

C26H29ClN6 — CID 71240468

About 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine

6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71240468) has the molecular formula C26H29ClN6 and a molecular weight of 461.01 g/mol. Its IUPAC name is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

• Compound Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
• PubChem CID: 71240468
• Molecular Formula: C26H29ClN6
• Molecular Weight: 461.01 g/mol
• Exact Mass: 460.21
• IUPAC Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
• SMILES: Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1c(Cl)c(C3CC3)nn1C)CC2
• InChI: InChI=1S/C26H29ClN6/c1-14(2)17-7-8-21-18(12-28-30-21)23(17)22-11-15(3)19-13-33(10-9-20(19)29-22)26-24(27)25(16-5-6-16)31-32(26)4/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3,(H,28,30)
• InChIKey: WHRGXYHDURHRQS-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.01
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?

The IUPAC name of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine (CID 71240468) is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine.

What is the SMILES notation for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?

The canonical SMILES for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine is Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1c(Cl)c(C3CC3)nn1C)CC2.

What is the InChIKey of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?

The InChIKey is WHRGXYHDURHRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6/c1-14(2)17-7-8-21-18(12-28-30-21)23(17)22-11-15(3)19-13-33(10-9-20(19)29-22)26-24(27)25(16-5-6-16)31-32(26)4/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3,(H,28,30).

What are the key properties of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?

6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 461.01 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-methyl-2-(5-propan-2-yl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71240468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).