3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile

C18H11Cl2N7 — CID 67383875

IUPAC3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
SMILESCc1cc(Nc2nccc3[nH]c(-c4c(Cl)cc(C#N)cc4Cl)nc23)ncn1
InChIInChI=1S/C18H11Cl2N7/c1-9-4-14(24-8-23-9)26-18-16-13(2-3-22-18)25-17(27-16)15-11(19)5-10(7-21)6-12(15)20/h2-6,8H,1H3,(H,25,27)(H,22,23,24,26)
InChIKeyYFSPSGACYXXNNF-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.65
Rot. Bonds3

About 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile

3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile (PubChem CID 67383875) has the molecular formula C18H11Cl2N7 and a molecular weight of 396.24 g/mol. Its IUPAC name is 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
PubChem CID67383875
Molecular FormulaC18H11Cl2N7
Molecular Weight396.24 g/mol
Exact Mass395.05
IUPAC Name3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
SMILESCc1cc(Nc2nccc3[nH]c(-c4c(Cl)cc(C#N)cc4Cl)nc23)ncn1
InChIInChI=1S/C18H11Cl2N7/c1-9-4-14(24-8-23-9)26-18-16-13(2-3-22-18)25-17(27-16)15-11(19)5-10(7-21)6-12(15)20/h2-6,8H,1H3,(H,25,27)(H,22,23,24,26)
InChIKeyYFSPSGACYXXNNF-UHFFFAOYSA-N
XLogP4.65
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile (CID 67383875) is 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile is Cc1cc(Nc2nccc3[nH]c(-c4c(Cl)cc(C#N)cc4Cl)nc23)ncn1.
What is the InChIKey of 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
The InChIKey is YFSPSGACYXXNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N7/c1-9-4-14(24-8-23-9)26-18-16-13(2-3-22-18)25-17(27-16)15-11(19)5-10(7-21)6-12(15)20/h2-6,8H,1H3,(H,25,27)(H,22,23,24,26).
What are the key properties of 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile has a molecular weight of 396.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 67383875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).