[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone

C30H25F2N5O4 — CID 118141489

IUPAC[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(C(=O)N4CCOCC4)cccc3[nH]2)c1N
InChIInChI=1S/C30H25F2N5O4/c1-17-14-18(41-26-7-3-5-22(31)27(26)32)8-9-25(17)37-29(33)21(16-34-37)28(38)24-15-20-19(4-2-6-23(20)35-24)30(39)36-10-12-40-13-11-36/h2-9,14-16,35H,10-13,33H2,1H3
InChIKeyPTLVZCZHVZQWMR-UHFFFAOYSA-N
MW557.56 g/mol
LogP5.02
Rot. Bonds6

About [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone (PubChem CID 118141489) has the molecular formula C30H25F2N5O4 and a molecular weight of 557.56 g/mol. Its IUPAC name is [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone
PubChem CID118141489
Molecular FormulaC30H25F2N5O4
Molecular Weight557.56 g/mol
Exact Mass557.19
IUPAC Name[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(C(=O)N4CCOCC4)cccc3[nH]2)c1N
InChIInChI=1S/C30H25F2N5O4/c1-17-14-18(41-26-7-3-5-22(31)27(26)32)8-9-25(17)37-29(33)21(16-34-37)28(38)24-15-20-19(4-2-6-23(20)35-24)30(39)36-10-12-40-13-11-36/h2-9,14-16,35H,10-13,33H2,1H3
InChIKeyPTLVZCZHVZQWMR-UHFFFAOYSA-N
XLogP5.02
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.56
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933917
{5-Amino-1-[2-chloro-4-(2-fluoro-phenoxy)-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138297
{5-Amino-1-[4-(2,3-difluoro-phenoxy)-2-methyl-phenyl]-1H-pyrazol-4-yl}-[4-(1H-pyrazol-4-yl)-1H-indol-2-yl]-methanone
CID 91810295
[5-Amino-1-(3-fluoro-4-phenoxy-phenyl)-1H-pyrazol-4-yl]-(1H-indol-2-yl)-methanone
CID 118138211
{5-Amino-1-[4-(2,3-difluoro-phenoxy)-2-methyl-phenyl]-1H-pyrazol-4-yl}-(1H-indol-2-yl)-methanone
CID 118138226
{5-Amino-1-[4-(3,4-difluoro-phenoxy)-phenyl]-1H-pyrazol-4-yl}-(1H-indol-2-yl)-methanone
CID 118138245
{5-Amino-1-[2-bromo-4-(2,3-difluoro-phenoxy)-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138267
[5-Amino-1-(2-fluoro-4-phenoxy-phenyl)-1h-pyrazol-4-yl]-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138273
{5-Amino-1-[4-(2-fluoro-phenoxy)-2-methyl-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138283
{5-Amino-1-[6-(2,3-difluoro-phenoxy)-2-methoxy-pyridin-3-yl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138318
{5-Amino-1-[6-(2,5-difluoro-phenoxy)-pyridin-3-yl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138334
{5-Amino-1-[4-(2,3-difluoro-phenoxy)-2-hydroxy-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138339

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone (CID 118141489) is [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone is Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(C(=O)N4CCOCC4)cccc3[nH]2)c1N.
What is the InChIKey of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is PTLVZCZHVZQWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O4/c1-17-14-18(41-26-7-3-5-22(31)27(26)32)8-9-25(17)37-29(33)21(16-34-37)28(38)24-15-20-19(4-2-6-23(20)35-24)30(39)36-10-12-40-13-11-36/h2-9,14-16,35H,10-13,33H2,1H3.
What are the key properties of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 557.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118141489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).