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

C29H25N5O4 — CID 118138393

IUPAC[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H25N5O4/c30-28-24(18-31-34(28)21-7-9-23(10-8-21)38-22-4-2-1-3-5-22)27(35)26-17-20-16-19(6-11-25(20)32-26)29(36)33-12-14-37-15-13-33/h1-11,16-18,32H,12-15,30H2
InChIKeyGKEJAWPZSHGAMG-UHFFFAOYSA-N
MW507.55 g/mol
LogP4.43
Rot. Bonds6

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

[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138393) has the molecular formula C29H25N5O4 and a molecular weight of 507.55 g/mol. Its IUPAC name is [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138393
Molecular FormulaC29H25N5O4
Molecular Weight507.55 g/mol
Exact Mass507.19
IUPAC Name[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H25N5O4/c30-28-24(18-31-34(28)21-7-9-23(10-8-21)38-22-4-2-1-3-5-22)27(35)26-17-20-16-19(6-11-25(20)32-26)29(36)33-12-14-37-15-13-33/h1-11,16-18,32H,12-15,30H2
InChIKeyGKEJAWPZSHGAMG-UHFFFAOYSA-N
XLogP4.43
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138393) is [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GKEJAWPZSHGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O4/c30-28-24(18-31-34(28)21-7-9-23(10-8-21)38-22-4-2-1-3-5-22)27(35)26-17-20-16-19(6-11-25(20)32-26)29(36)33-12-14-37-15-13-33/h1-11,16-18,32H,12-15,30H2.
What are the key properties of [2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 507.55 g/mol, XLogP of 4.43, 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-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).