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

C19H14Cl2N8 — CID 67383645

IUPAC3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
SMILESCN(C)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cc(C#N)cc4Cl)nc23)ncn1
InChIInChI=1S/C19H14Cl2N8/c1-29(2)15-7-14(24-9-25-15)27-19-17-13(3-4-23-19)26-18(28-17)16-11(20)5-10(8-22)6-12(16)21/h3-7,9H,1-2H3,(H,26,28)(H,23,24,25,27)
InChIKeyKGBKPWCKHPDBTF-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.40
Rot. Bonds4

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

3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile (PubChem CID 67383645) has the molecular formula C19H14Cl2N8 and a molecular weight of 425.28 g/mol. Its IUPAC name is 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
PubChem CID67383645
Molecular FormulaC19H14Cl2N8
Molecular Weight425.28 g/mol
Exact Mass424.07
IUPAC Name3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
SMILESCN(C)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cc(C#N)cc4Cl)nc23)ncn1
InChIInChI=1S/C19H14Cl2N8/c1-29(2)15-7-14(24-9-25-15)27-19-17-13(3-4-23-19)26-18(28-17)16-11(20)5-10(8-22)6-12(16)21/h3-7,9H,1-2H3,(H,26,28)(H,23,24,25,27)
InChIKeyKGBKPWCKHPDBTF-UHFFFAOYSA-N
XLogP4.40
TPSA106.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile (CID 67383645) is 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile is CN(C)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cc(C#N)cc4Cl)nc23)ncn1.
What is the InChIKey of 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
The InChIKey is KGBKPWCKHPDBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N8/c1-29(2)15-7-14(24-9-25-15)27-19-17-13(3-4-23-19)26-18(28-17)16-11(20)5-10(8-22)6-12(16)21/h3-7,9H,1-2H3,(H,26,28)(H,23,24,25,27).
What are the key properties of 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile?
3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile has a molecular weight of 425.28 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 67383645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).