N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide

C26H31ClFN5O2 — CID 156630268

About N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide (PubChem CID 156630268) has the molecular formula C26H31ClFN5O2 and a molecular weight of 500.02 g/mol. Its IUPAC name is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
• PubChem CID: 156630268
• Molecular Formula: C26H31ClFN5O2
• Molecular Weight: 500.02 g/mol
• Exact Mass: 499.22
• IUPAC Name: N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide
• SMILES: CCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
• InChI: InChI=1S/C26H31ClFN5O2/c1-5-23(34)30-17-8-6-7-15(9-17)26(35)31-22-12-18(20(27)13-29-22)16-10-19-24(21(28)11-16)32-33(4)25(19)14(2)3/h10-15,17H,5-9H2,1-4H3,(H,30,34)(H,29,31,35)
• InChIKey: URJVQQWWUXRWLM-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.02
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?

The IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide (CID 156630268) is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?

The canonical SMILES for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide is CCC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1.

What is the InChIKey of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?

The InChIKey is URJVQQWWUXRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN5O2/c1-5-23(34)30-17-8-6-7-15(9-17)26(35)31-22-12-18(20(27)13-29-22)16-10-19-24(21(28)11-16)32-33(4)25(19)14(2)3/h10-15,17H,5-9H2,1-4H3,(H,30,34)(H,29,31,35).

What are the key properties of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide?

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide has a molecular weight of 500.02 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(propanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 156630268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).