5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C21H20Cl2N6O3 — CID 162373747

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 162373747) has the molecular formula C21H20Cl2N6O3 and a molecular weight of 475.34 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
• PubChem CID: 162373747
• Molecular Formula: C21H20Cl2N6O3
• Molecular Weight: 475.34 g/mol
• Exact Mass: 474.10
• IUPAC Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
• SMILES: C[C@@H](O)Cn1cc(NC(=O)c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1
• InChI: InChI=1S/C21H20Cl2N6O3/c1-11(30)9-29-10-13(6-25-29)26-21(31)20-15-5-14(3-4-18(15)27-28-20)32-12(2)19-16(22)7-24-8-17(19)23/h3-8,10-12,30H,9H2,1-2H3,(H,26,31)(H,27,28)/t11-,12-/m1/s1
• InChIKey: HHZAQGWFOMAFMI-VXGBXAGGSA-N
• XLogP: 4.23
• TPSA: 117.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.34
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 162373747) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is C[C@@H](O)Cn1cc(NC(=O)c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.

What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

The InChIKey is HHZAQGWFOMAFMI-VXGBXAGGSA-N. The full InChI is InChI=1S/C21H20Cl2N6O3/c1-11(30)9-29-10-13(6-25-29)26-21(31)20-15-5-14(3-4-18(15)27-28-20)32-12(2)19-16(22)7-24-8-17(19)23/h3-8,10-12,30H,9H2,1-2H3,(H,26,31)(H,27,28)/t11-,12-/m1/s1.

What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 475.34 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 162373747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).