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

C18H15N5OS — CID 2945660

IUPAC6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1cc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)c(C)s1
InChIInChI=1S/C18H15N5OS/c1-9-6-12(10(2)25-9)16-15-14(11-4-3-5-21-8-11)13(7-19)17(20)24-18(15)23-22-16/h3-6,8,14H,20H2,1-2H3,(H,22,23)
InChIKeyPXMMQYZJYIFNOG-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.37
Rot. Bonds2

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

6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2945660) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2945660
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1cc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)c(C)s1
InChIInChI=1S/C18H15N5OS/c1-9-6-12(10(2)25-9)16-15-14(11-4-3-5-21-8-11)13(7-19)17(20)24-18(15)23-22-16/h3-6,8,14H,20H2,1-2H3,(H,22,23)
InChIKeyPXMMQYZJYIFNOG-UHFFFAOYSA-N
XLogP3.37
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2945660) is 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1cc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)c(C)s1.
What is the InChIKey of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is PXMMQYZJYIFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-9-6-12(10(2)25-9)16-15-14(11-4-3-5-21-8-11)13(7-19)17(20)24-18(15)23-22-16/h3-6,8,14H,20H2,1-2H3,(H,22,23).
What are the key properties of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 349.42 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2945660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).