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

C29H23F2N5O5 — CID 118138339

IUPAC[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2cccc(F)c2F)cc1O
InChIInChI=1S/C29H23F2N5O5/c30-20-2-1-3-25(26(20)31)41-18-5-7-23(24(37)14-18)36-28(32)19(15-33-36)27(38)22-13-17-12-16(4-6-21(17)34-22)29(39)35-8-10-40-11-9-35/h1-7,12-15,34,37H,8-11,32H2
InChIKeyQTLQGIGMWIPTAG-UHFFFAOYSA-N
MW559.53 g/mol
LogP4.42
Rot. Bonds6

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

[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138339) has the molecular formula C29H23F2N5O5 and a molecular weight of 559.53 g/mol. Its IUPAC name is [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138339
Molecular FormulaC29H23F2N5O5
Molecular Weight559.53 g/mol
Exact Mass559.17
IUPAC Name[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2cccc(F)c2F)cc1O
InChIInChI=1S/C29H23F2N5O5/c30-20-2-1-3-25(26(20)31)41-18-5-7-23(24(37)14-18)36-28(32)19(15-33-36)27(38)22-13-17-12-16(4-6-21(17)34-22)29(39)35-8-10-40-11-9-35/h1-7,12-15,34,37H,8-11,32H2
InChIKeyQTLQGIGMWIPTAG-UHFFFAOYSA-N
XLogP4.42
TPSA135.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.53
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{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-(3-fluoro-4-phenoxy-phenyl)-1H-pyrazol-4-yl]-(1H-indol-2-yl)-methanone
CID 118138211
{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)-2,6-dimethyl-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138358
{5-Amino-1-[4-(2,3-difluoro-phenoxy)-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138364
{2-[5-Amino-1-(5-fluoro-2-methyl-4-phenoxy-phenyl)-1h-pyrazole-4-carbonyl]-1h-indol-5-yl}-morpholin-4-yl-methanone
CID 118138368
{5-Amino-1-[4-(2,3-difluoro-phenoxy)-2-methoxy-phenyl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138370

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138339) is [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2cccc(F)c2F)cc1O.
What is the InChIKey of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is QTLQGIGMWIPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N5O5/c30-20-2-1-3-25(26(20)31)41-18-5-7-23(24(37)14-18)36-28(32)19(15-33-36)27(38)22-13-17-12-16(4-6-21(17)34-22)29(39)35-8-10-40-11-9-35/h1-7,12-15,34,37H,8-11,32H2.
What are the key properties of [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 559.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-hydroxyphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).