[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

C29H26N6O4 — CID 118138417

IUPAC[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Oc2ccccc2)ncc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N
InChIInChI=1S/C29H26N6O4/c1-18-13-26(39-21-5-3-2-4-6-21)31-17-25(18)35-28(30)22(16-32-35)27(36)24-15-20-14-19(7-8-23(20)33-24)29(37)34-9-11-38-12-10-34/h2-8,13-17,33H,9-12,30H2,1H3
InChIKeyCWOQLWVUANQSDC-UHFFFAOYSA-N
MW522.57 g/mol
LogP4.13
Rot. Bonds6

About [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138417) has the molecular formula C29H26N6O4 and a molecular weight of 522.57 g/mol. Its IUPAC name is [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138417
Molecular FormulaC29H26N6O4
Molecular Weight522.57 g/mol
Exact Mass522.20
IUPAC Name[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Oc2ccccc2)ncc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N
InChIInChI=1S/C29H26N6O4/c1-18-13-26(39-21-5-3-2-4-6-21)31-17-25(18)35-28(30)22(16-32-35)27(36)24-15-20-14-19(7-8-23(20)33-24)29(37)34-9-11-38-12-10-34/h2-8,13-17,33H,9-12,30H2,1H3
InChIKeyCWOQLWVUANQSDC-UHFFFAOYSA-N
XLogP4.13
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138393
[2-[5-amino-1-[4-(3-bromophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138387
2-[4-[5-amino-4-[5-(morpholine-4-carbonyl)-1H-indole-2-carbonyl]pyrazol-1-yl]-3-methylphenoxy]-N,N-dimethylbenzamide
CID 134409140
[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indol-5-yl]-morpholin-4-ylmethanone
CID 126512797
[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazol-4-yl]-[5-methyl-6-(morpholin-4-ylsulfanylamino)-1H-indol-2-yl]methanone
CID 145211487
[2-[5-amino-1-[4-(2,3-difluorophenoxy)-2-iodophenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 134408955
N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide
CID 134448845
[3-[5-amino-1-(2-chloro-4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138374
N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]oxane-4-sulfonamide
CID 134448841
[2-[5-amino-4-[5-(4-methylpiperazine-1-carbonyl)-1H-indole-2-carbonyl]pyrazol-1-yl]-5-[2-(dimethylcarbamoyl)phenoxy]phenyl]iodanium
CID 163433037
[2-[[5-amino-1-[4-(3-tert-butylphenoxy)-2-methylphenyl]pyrazol-4-yl]-hydroxymethyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 134409127
[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-3,6,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-7-yl]-(oxetan-3-yl)methanone
CID 176551403

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138417) is [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Cc1cc(Oc2ccccc2)ncc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N.
What is the InChIKey of [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is CWOQLWVUANQSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O4/c1-18-13-26(39-21-5-3-2-4-6-21)31-17-25(18)35-28(30)22(16-32-35)27(36)24-15-20-14-19(7-8-23(20)33-24)29(37)34-9-11-38-12-10-34/h2-8,13-17,33H,9-12,30H2,1H3.
What are the key properties of [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 522.57 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-(4-methyl-6-phenoxy-3-pyridinyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).