(2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline

C26H30N6O3 — CID 166129066

About (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline

(2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline (PubChem CID 166129066) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline.

Molecular Properties

• Compound Name: (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline
• PubChem CID: 166129066
• Molecular Formula: C26H30N6O3
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.24
• IUPAC Name: (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline
• SMILES: CCOc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3CC3C=O)ccc12.CNc1ccc(OC)cc1
• InChI: InChI=1S/C18H19N5O2.C8H11NO/c1-3-25-16-8-19-10(2)20-18(16)21-17-13-5-4-11(7-15(13)22-23-17)14-6-12(14)9-24;1-9-7-3-5-8(10-2)6-4-7/h4-5,7-9,12,14H,3,6H2,1-2H3,(H2,19,20,21,22,23);3-6,9H,1-2H3/t12?,14-;/m0./s1
• InChIKey: ZNZAHRGMKJWRGM-KQYRMMKASA-N
• XLogP: 4.84
• TPSA: 114.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline?

The IUPAC name of (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline (CID 166129066) is (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline.

What is the SMILES notation for (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline?

The canonical SMILES for (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline is CCOc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3CC3C=O)ccc12.CNc1ccc(OC)cc1.

What is the InChIKey of (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline?

The InChIKey is ZNZAHRGMKJWRGM-KQYRMMKASA-N. The full InChI is InChI=1S/C18H19N5O2.C8H11NO/c1-3-25-16-8-19-10(2)20-18(16)21-17-13-5-4-11(7-15(13)22-23-17)14-6-12(14)9-24;1-9-7-3-5-8(10-2)6-4-7/h4-5,7-9,12,14H,3,6H2,1-2H3,(H2,19,20,21,22,23);3-6,9H,1-2H3/t12?,14-;/m0./s1.

What are the key properties of (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline?

(2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline has a molecular weight of 474.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-[(5-ethoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropane-1-carbaldehyde;4-methoxy-N-methylaniline is sourced from PubChem (CID 166129066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).