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

C16H11N5OS — CID 618107

IUPAC6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccnc1
InChIInChI=1S/C16H11N5OS/c17-7-10-12(9-3-1-5-19-8-9)13-14(11-4-2-6-23-11)20-21-16(13)22-15(10)18/h1-6,8,12H,18H2,(H,20,21)
InChIKeyAHECCLJHDMPPDZ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.75
Rot. Bonds2

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

6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 618107) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID618107
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccnc1
InChIInChI=1S/C16H11N5OS/c17-7-10-12(9-3-1-5-19-8-9)13-14(11-4-2-6-23-11)20-21-16(13)22-15(10)18/h1-6,8,12H,18H2,(H,20,21)
InChIKeyAHECCLJHDMPPDZ-UHFFFAOYSA-N
XLogP2.75
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

6-Amino-3-ethyl-4-(4-pyridinyl)-1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 653607
6-Amino-3-tert-BU-4-(3-pyridinyl)1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 612356
6-Amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961937
6-Amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 658129
6-Amino-3-tert-butyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945699
6-Amino-1-phenyl-3-propyl-4-(thiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3506003
6-Amino-3-(pyridin-4-yl)-4-(thiophen-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 667263
6-Amino-4-(4-tert-butylphenyl)-3-(3-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156533
6-Amino-3-methyl-1-phenyl-4-(thiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3478042
6-Amino-3-phenyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 644923
6-Amino-3-methyl-1-(4-methylphenyl)-4-thien-2-yl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 650693
6-Amino-3-phenyl-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 652120

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 618107) is 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccnc1.
What is the InChIKey of 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is AHECCLJHDMPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c17-7-10-12(9-3-1-5-19-8-9)13-14(11-4-2-6-23-11)20-21-16(13)22-15(10)18/h1-6,8,12H,18H2,(H,20,21).
What are the key properties of 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 321.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 618107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).