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

C25H30ClFN6O3 — CID 156630275

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

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide (PubChem CID 156630275) has the molecular formula C25H30ClFN6O3 and a molecular weight of 517.01 g/mol. Its IUPAC name is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide
• PubChem CID: 156630275
• Molecular Formula: C25H30ClFN6O3
• Molecular Weight: 517.01 g/mol
• Exact Mass: 516.21
• IUPAC Name: N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide
• SMILES: CONC(=O)NC1CCCC(C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(Cl)cn2)C1
• InChI: InChI=1S/C25H30ClFN6O3/c1-13(2)23-18-9-15(10-20(27)22(18)31-33(23)3)17-11-21(28-12-19(17)26)30-24(34)14-6-5-7-16(8-14)29-25(35)32-36-4/h9-14,16H,5-8H2,1-4H3,(H,28,30,34)(H2,29,32,35)
• InChIKey: VHBMYACYAMWWOX-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 110.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.01
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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-(methoxycarbamoylamino)cyclohexane-1-carboxamide?

The IUPAC name of N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide (CID 156630275) is N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)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-(methoxycarbamoylamino)cyclohexane-1-carboxamide?

The canonical SMILES for N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide is CONC(=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-(methoxycarbamoylamino)cyclohexane-1-carboxamide?

The InChIKey is VHBMYACYAMWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN6O3/c1-13(2)23-18-9-15(10-20(27)22(18)31-33(23)3)17-11-21(28-12-19(17)26)30-24(34)14-6-5-7-16(8-14)29-25(35)32-36-4/h9-14,16H,5-8H2,1-4H3,(H,28,30,34)(H2,29,32,35).

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

N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(methoxycarbamoylamino)cyclohexane-1-carboxamide has a molecular weight of 517.01 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-(methoxycarbamoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 156630275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).