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

C20H17N5O2 — CID 664707

IUPAC6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C20H17N5O2/c1-2-26-14-7-5-12(6-8-14)18-17-16(13-4-3-9-23-11-13)15(10-21)19(22)27-20(17)25-24-18/h3-9,11,16H,2,22H2,1H3,(H,24,25)
InChIKeyNJXHWPINFJBNAY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.09
Rot. Bonds4

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

6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 664707) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID664707
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCOc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C20H17N5O2/c1-2-26-14-7-5-12(6-8-14)18-17-16(13-4-3-9-23-11-13)15(10-21)19(22)27-20(17)25-24-18/h3-9,11,16H,2,22H2,1H3,(H,24,25)
InChIKeyNJXHWPINFJBNAY-UHFFFAOYSA-N
XLogP3.09
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 664707) is 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCOc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NJXHWPINFJBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-26-14-7-5-12(6-8-14)18-17-16(13-4-3-9-23-11-13)15(10-21)19(22)27-20(17)25-24-18/h3-9,11,16H,2,22H2,1H3,(H,24,25).
What are the key properties of 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-ethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 664707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).