N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C36H43N9O4 — CID 143851947

About N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 143851947) has the molecular formula C36H43N9O4 and a molecular weight of 665.80 g/mol. Its IUPAC name is N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 143851947
• Molecular Formula: C36H43N9O4
• Molecular Weight: 665.80 g/mol
• Exact Mass: 665.34
• IUPAC Name: N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CCCN(COC)CC(=O)N1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1.CCOc1ccc(-c2n[nH]c3ccc(NC=O)cc23)cn1
• InChI: InChI=1S/C21H29N5O2.C15H14N4O2/c1-4-11-25(16-28-3)14-20(27)26-12-9-18(10-13-26)17-5-7-19(8-6-17)21-22-15-24(2)23-21;1-2-21-14-6-3-10(8-16-14)15-12-7-11(17-9-20)4-5-13(12)18-19-15/h5-9,15H,4,10-14,16H2,1-3H3;3-9H,2H2,1H3,(H,17,20)(H,18,19)
• InChIKey: ZSYCKUUSIKGOSU-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 143.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.80
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The IUPAC name of N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 143851947) is N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

What is the SMILES notation for N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The canonical SMILES for N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCCN(COC)CC(=O)N1CC=C(c2ccc(-c3ncn(C)n3)cc2)CC1.CCOc1ccc(-c2n[nH]c3ccc(NC=O)cc23)cn1.

What is the InChIKey of N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The InChIKey is ZSYCKUUSIKGOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.C15H14N4O2/c1-4-11-25(16-28-3)14-20(27)26-12-9-18(10-13-26)17-5-7-19(8-6-17)21-22-15-24(2)23-21;1-2-21-14-6-3-10(8-16-14)15-12-7-11(17-9-20)4-5-13(12)18-19-15/h5-9,15H,4,10-14,16H2,1-3H3;3-9H,2H2,1H3,(H,17,20)(H,18,19).

What are the key properties of N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?

N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 665.80 g/mol, XLogP of 5.01, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]formamide;2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 143851947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).