2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

C19H11Cl2N5S — CID 58094763

IUPAC2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccnc(N)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl2N5S/c20-11-1-2-12(14(21)8-11)17-13(9-22)18(10-3-5-24-16(23)7-10)27-19(17)15-4-6-25-26-15/h1-8H,(H2,23,24)(H,25,26)
InChIKeyXNWFKDZXNLCNKV-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.63
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile

2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (PubChem CID 58094763) has the molecular formula C19H11Cl2N5S and a molecular weight of 412.31 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
PubChem CID58094763
Molecular FormulaC19H11Cl2N5S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC Name2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccnc(N)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H11Cl2N5S/c20-11-1-2-12(14(21)8-11)17-13(9-22)18(10-3-5-24-16(23)7-10)27-19(17)15-4-6-25-26-15/h1-8H,(H2,23,24)(H,25,26)
InChIKeyXNWFKDZXNLCNKV-UHFFFAOYSA-N
XLogP5.63
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-6-fluoro-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
CID 46866576
4-(2,4-dichlorophenyl)-2-(2-fluoropyridin-4-yl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
CID 58094733
4-(2,4-dichlorophenyl)-2-(2-fluoropyridin-4-yl)-5-(4H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
CID 58094766
4-(2,4-dichlorophenyl)-2-(2-fluoropyridin-4-yl)-5-(1H-1,2,3-triazol-5-yl)thiophene-3-carbonitrile
CID 58094922
3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 90226340
3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 90226346
2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 3302824
2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 4606190
5-(4-Chloro-phenyl)-3-(3-chloro-thiophen-2-yl)-1-(pyridin-2-yl)-1H-pyrazole
CID 22147911
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 22953883
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 22953885
2-Amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(1H-pyrazol-3-yl)pyridine-3,5-dicarbonitrile
CID 44229645

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile (CID 58094763) is 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is N#Cc1c(-c2ccnc(N)c2)sc(-c2ccn[nH]2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
The InChIKey is XNWFKDZXNLCNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N5S/c20-11-1-2-12(14(21)8-11)17-13(9-22)18(10-3-5-24-16(23)7-10)27-19(17)15-4-6-25-26-15/h1-8H,(H2,23,24)(H,25,26).
What are the key properties of 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile?
2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile has a molecular weight of 412.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-4-(2,4-dichlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 58094763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).