6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide

C31H33ClN8O4 — CID 142496077

About 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide

6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide (PubChem CID 142496077) has the molecular formula C31H33ClN8O4 and a molecular weight of 617.11 g/mol. Its IUPAC name is 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide
• PubChem CID: 142496077
• Molecular Formula: C31H33ClN8O4
• Molecular Weight: 617.11 g/mol
• Exact Mass: 616.23
• IUPAC Name: 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide
• SMILES: CNc1cccc(Cl)n1.Cc1cccc(NC(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2C3CCC(C3)C2C=O)c1
• InChI: InChI=1S/C25H26N6O4.C6H7ClN2/c1-14-3-2-4-16(9-14)27-25(35)28-17-6-8-20-19(11-17)23(24(26)34)29-30(20)12-22(33)31-18-7-5-15(10-18)21(31)13-32;1-8-6-4-2-3-5(7)9-6/h2-4,6,8-9,11,13,15,18,21H,5,7,10,12H2,1H3,(H2,26,34)(H2,27,28,35);2-4H,1H3,(H,8,9)
• InChIKey: GLWNQIXUURLATJ-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 164.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.11
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide?

The IUPAC name of 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide (CID 142496077) is 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide.

What is the SMILES notation for 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide?

The canonical SMILES for 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide is CNc1cccc(Cl)n1.Cc1cccc(NC(=O)Nc2ccc3c(c2)c(C(N)=O)nn3CC(=O)N2C3CCC(C3)C2C=O)c1.

What is the InChIKey of 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide?

The InChIKey is GLWNQIXUURLATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4.C6H7ClN2/c1-14-3-2-4-16(9-14)27-25(35)28-17-6-8-20-19(11-17)23(24(26)34)29-30(20)12-22(33)31-18-7-5-15(10-18)21(31)13-32;1-8-6-4-2-3-5(7)9-6/h2-4,6,8-9,11,13,15,18,21H,5,7,10,12H2,1H3,(H2,26,34)(H2,27,28,35);2-4H,1H3,(H,8,9).

What are the key properties of 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide?

6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide has a molecular weight of 617.11 g/mol, XLogP of 4.44, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-methylpyridin-2-amine;1-[2-(3-formyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-5-[(3-methylphenyl)carbamoylamino]indazole-3-carboxamide is sourced from PubChem (CID 142496077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).