[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone

C30H27F2N5O3 — CID 118141505

About [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone

[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone (PubChem CID 118141505) has the molecular formula C30H27F2N5O3 and a molecular weight of 543.57 g/mol. Its IUPAC name is [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone.

Molecular Properties

• Compound Name: [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
• PubChem CID: 118141505
• Molecular Formula: C30H27F2N5O3
• Molecular Weight: 543.57 g/mol
• Exact Mass: 543.21
• IUPAC Name: [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
• SMILES: Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(CN4CCOCC4)cccc3[nH]2)c1N
• InChI: InChI=1S/C30H27F2N5O3/c1-18-14-20(40-27-7-3-5-23(31)28(27)32)8-9-26(18)37-30(33)22(16-34-37)29(38)25-15-21-19(4-2-6-24(21)35-25)17-36-10-12-39-13-11-36/h2-9,14-16,35H,10-13,17,33H2,1H3
• InChIKey: FUJJFEFRZDEISC-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 98.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.57
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?

The IUPAC name of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone (CID 118141505) is [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone.

What is the SMILES notation for [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?

The canonical SMILES for [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone is Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(CN4CCOCC4)cccc3[nH]2)c1N.

What is the InChIKey of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?

The InChIKey is FUJJFEFRZDEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5O3/c1-18-14-20(40-27-7-3-5-23(31)28(27)32)8-9-26(18)37-30(33)22(16-34-37)29(38)25-15-21-19(4-2-6-24(21)35-25)17-36-10-12-39-13-11-36/h2-9,14-16,35H,10-13,17,33H2,1H3.

What are the key properties of [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?

[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone has a molecular weight of 543.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[4-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 118141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).