6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C21H19N5O4 — CID 3236045

IUPAC6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)cc(OC)c1OC
InChIInChI=1S/C21H19N5O4/c1-27-14-8-11(9-15(28-2)19(14)29-3)16-12(10-22)20(23)30-21-17(16)18(25-26-21)13-6-4-5-7-24-13/h4-9,16H,23H2,1-3H3,(H,25,26)
InChIKeyFSOCYNUFLUAOHV-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.72
Rot. Bonds5

About 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3236045) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3236045
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)cc(OC)c1OC
InChIInChI=1S/C21H19N5O4/c1-27-14-8-11(9-15(28-2)19(14)29-3)16-12(10-22)20(23)30-21-17(16)18(25-26-21)13-6-4-5-7-24-13/h4-9,16H,23H2,1-3H3,(H,25,26)
InChIKeyFSOCYNUFLUAOHV-UHFFFAOYSA-N
XLogP2.72
TPSA128.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3236045) is 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)cc(OC)c1OC.
What is the InChIKey of 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is FSOCYNUFLUAOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-27-14-8-11(9-15(28-2)19(14)29-3)16-12(10-22)20(23)30-21-17(16)18(25-26-21)13-6-4-5-7-24-13/h4-9,16H,23H2,1-3H3,(H,25,26).
What are the key properties of 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 405.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3236045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).