[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate

C26H25N5O6 — CID 5164996

IUPAC[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
SMILESCOc1ccc(-c2[nH]nc3c2C(c2cccc(OC)c2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C26H25N5O6/c1-33-16-8-6-15(7-9-16)22-21-20(18(14-27)24(28)37-25(21)30-29-22)17-4-3-5-19(34-2)23(17)36-26(32)31-10-12-35-13-11-31/h3-9,20H,10-13,28H2,1-2H3,(H,29,30)
InChIKeyAFLVAIXQDQJJNR-UHFFFAOYSA-N
MW503.52 g/mol
LogP3.14
Rot. Bonds5

About [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate

[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate (PubChem CID 5164996) has the molecular formula C26H25N5O6 and a molecular weight of 503.52 g/mol. Its IUPAC name is [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
PubChem CID5164996
Molecular FormulaC26H25N5O6
Molecular Weight503.52 g/mol
Exact Mass503.18
IUPAC Name[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
SMILESCOc1ccc(-c2[nH]nc3c2C(c2cccc(OC)c2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C26H25N5O6/c1-33-16-8-6-15(7-9-16)22-21-20(18(14-27)24(28)37-25(21)30-29-22)17-4-3-5-19(34-2)23(17)36-26(32)31-10-12-35-13-11-31/h3-9,20H,10-13,28H2,1-2H3,(H,29,30)
InChIKeyAFLVAIXQDQJJNR-UHFFFAOYSA-N
XLogP3.14
TPSA144.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 3241692
[4-[6-amino-5-cyano-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] morpholine-4-carboxylate
CID 6737906
[3-[(4R)-6-amino-5-cyano-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 1044631
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
[3-[(4S)-6-amino-5-cyano-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 1272640
6-amino-3-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2944818
6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4069198
[2-(6-amino-3-tert-butyl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] morpholine-4-carboxylate
CID 3235848
6-amino-3-(4-fluorophenyl)-4-(4-methoxynaphthalen-1-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838678
2-[2-[6-amino-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenoxy]acetamide
CID 3618968
(4R)-6-amino-4-(2,3-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1401383
(4R)-6-amino-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1287442

Frequently Asked Questions

What is the IUPAC name of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate?
The IUPAC name of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate (CID 5164996) is [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate.
What is the SMILES notation for [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate?
The canonical SMILES for [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate is COc1ccc(-c2[nH]nc3c2C(c2cccc(OC)c2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate?
The InChIKey is AFLVAIXQDQJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O6/c1-33-16-8-6-15(7-9-16)22-21-20(18(14-27)24(28)37-25(21)30-29-22)17-4-3-5-19(34-2)23(17)36-26(32)31-10-12-35-13-11-31/h3-9,20H,10-13,28H2,1-2H3,(H,29,30).
What are the key properties of [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate?
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate has a molecular weight of 503.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate is sourced from PubChem (CID 5164996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).