[2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

C29H23ClFN5O4 — CID 118138297

IUPAC[2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2F)cc1Cl
InChIInChI=1S/C29H23ClFN5O4/c30-21-15-19(40-26-4-2-1-3-22(26)31)6-8-25(21)36-28(32)20(16-33-36)27(37)24-14-18-13-17(5-7-23(18)34-24)29(38)35-9-11-39-12-10-35/h1-8,13-16,34H,9-12,32H2
InChIKeyPFPXJKXLIAEWJP-UHFFFAOYSA-N
MW559.99 g/mol
LogP5.22
Rot. Bonds6

About [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138297) has the molecular formula C29H23ClFN5O4 and a molecular weight of 559.99 g/mol. Its IUPAC name is [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138297
Molecular FormulaC29H23ClFN5O4
Molecular Weight559.99 g/mol
Exact Mass559.14
IUPAC Name[2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2F)cc1Cl
InChIInChI=1S/C29H23ClFN5O4/c30-21-15-19(40-26-4-2-1-3-22(26)31)6-8-25(21)36-28(32)20(16-33-36)27(37)24-14-18-13-17(5-7-23(18)34-24)29(38)35-9-11-39-12-10-35/h1-8,13-16,34H,9-12,32H2
InChIKeyPFPXJKXLIAEWJP-UHFFFAOYSA-N
XLogP5.22
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.99
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
CID 134156584
[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
2-{5-Amino-1-[2-chloro-4-(3-cyano-2-fluoro-phenoxy)-phenyl]-1h-pyrazole-4-carbonyl}-1h-indole-5-carboxylic acid
CID 118138317
{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
{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

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138297) is [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2F)cc1Cl.
What is the InChIKey of [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PFPXJKXLIAEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClFN5O4/c30-21-15-19(40-26-4-2-1-3-22(26)31)6-8-25(21)36-28(32)20(16-33-36)27(37)24-14-18-13-17(5-7-23(18)34-24)29(38)35-9-11-39-12-10-35/h1-8,13-16,34H,9-12,32H2.
What are the key properties of [2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 559.99 g/mol, XLogP of 5.22, 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-[2-chloro-4-(2-fluorophenoxy)phenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).