6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H23N5O3 — CID 4069198

IUPAC6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C24H23N5O3/c1-30-18-8-4-16(5-9-18)22-21-20(19(14-25)23(26)32-24(21)28-27-22)15-2-6-17(7-3-15)29-10-12-31-13-11-29/h2-9,20H,10-13,26H2,1H3,(H,27,28)
InChIKeyRUOGTXOMFWYJOK-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.14
Rot. Bonds4

About 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4069198) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4069198
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C24H23N5O3/c1-30-18-8-4-16(5-9-18)22-21-20(19(14-25)23(26)32-24(21)28-27-22)15-2-6-17(7-3-15)29-10-12-31-13-11-29/h2-9,20H,10-13,26H2,1H3,(H,27,28)
InChIKeyRUOGTXOMFWYJOK-UHFFFAOYSA-N
XLogP3.14
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-6-amino-4-(4-bromophenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 993591
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] morpholine-4-carboxylate
CID 3241692
6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3441144
6-amino-4-(4-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 146441668
6-amino-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838576
[2-[6-amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-6-methoxyphenyl] morpholine-4-carboxylate
CID 5164996
(4S)-6-amino-3-(4-methylphenyl)-4-(4-morpholin-4-yl-3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 92695000
6-amino-3-methyl-4-(4-pyrrolidin-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4287209
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
(4R)-6-amino-3-(4-methylphenyl)-4-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 28563070
(4S)-6-amino-3-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006082

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4069198) is 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2[nH]nc3c2C(c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RUOGTXOMFWYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-30-18-8-4-16(5-9-18)22-21-20(19(14-25)23(26)32-24(21)28-27-22)15-2-6-17(7-3-15)29-10-12-31-13-11-29/h2-9,20H,10-13,26H2,1H3,(H,27,28).
What are the key properties of 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-methoxyphenyl)-4-(4-morpholin-4-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4069198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).