3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile

C18H12N6 — CID 155552177

IUPAC3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1
InChIInChI=1S/C18H12N6/c19-11-13-4-3-5-14(10-13)22-18-20-8-7-16(23-18)15-12-21-24-9-2-1-6-17(15)24/h1-10,12H,(H,20,22,23)
InChIKeyDKCCMYSTCUJOIX-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.41
Rot. Bonds3

About 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile

3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile (PubChem CID 155552177) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile
PubChem CID155552177
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1
InChIInChI=1S/C18H12N6/c19-11-13-4-3-5-14(10-13)22-18-20-8-7-16(23-18)15-12-21-24-9-2-1-6-17(15)24/h1-10,12H,(H,20,22,23)
InChIKeyDKCCMYSTCUJOIX-UHFFFAOYSA-N
XLogP3.41
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
CID 141174304
3-[[4-[2-(hydroxymethyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-yl]amino]benzonitrile
CID 155513583
ethane;N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 91103828
6-pyrazolo[1,5-a]pyridin-3-yl-N-pyridin-3-ylpyridin-2-amine
CID 67372518
3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile
CID 155513139
2-[[2-(3-cyanoanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112906784
4-[3-(dimethylamino)azetidin-1-yl]-6-methoxy-3-N-(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 155011185
N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539378
ethane;3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 91440821
3-[[2-(4-bromoanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112904486
1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)benzene-1,2,4-triamine
CID 86677313
N-[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]formamide
CID 122425064

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile?
The IUPAC name of 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile (CID 155552177) is 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile is N#Cc1cccc(Nc2nccc(-c3cnn4ccccc34)n2)c1.
What is the InChIKey of 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile?
The InChIKey is DKCCMYSTCUJOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c19-11-13-4-3-5-14(10-13)22-18-20-8-7-16(23-18)15-12-21-24-9-2-1-6-17(15)24/h1-10,12H,(H,20,22,23).
What are the key properties of 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile?
3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile has a molecular weight of 312.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile is sourced from PubChem (CID 155552177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).