2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol

C19H16Cl2N6O — CID 67383342

IUPAC2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1
InChIInChI=1S/C19H16Cl2N6O/c1-19(2,28)13-8-14(24-9-23-13)26-18-16-12(6-7-22-18)25-17(27-16)15-10(20)4-3-5-11(15)21/h3-9,28H,1-2H3,(H,25,27)(H,22,23,24,26)
InChIKeyOTQDYWVTPUJGCD-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.69
Rot. Bonds4

About 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol

2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol (PubChem CID 67383342) has the molecular formula C19H16Cl2N6O and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol
PubChem CID67383342
Molecular FormulaC19H16Cl2N6O
Molecular Weight415.28 g/mol
Exact Mass414.08
IUPAC Name2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1
InChIInChI=1S/C19H16Cl2N6O/c1-19(2,28)13-8-14(24-9-23-13)26-18-16-12(6-7-22-18)25-17(27-16)15-10(20)4-3-5-11(15)21/h3-9,28H,1-2H3,(H,25,27)(H,22,23,24,26)
InChIKeyOTQDYWVTPUJGCD-UHFFFAOYSA-N
XLogP4.69
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol?
The IUPAC name of 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol (CID 67383342) is 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol is CC(C)(O)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1.
What is the InChIKey of 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol?
The InChIKey is OTQDYWVTPUJGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O/c1-19(2,28)13-8-14(24-9-23-13)26-18-16-12(6-7-22-18)25-17(27-16)15-10(20)4-3-5-11(15)21/h3-9,28H,1-2H3,(H,25,27)(H,22,23,24,26).
What are the key properties of 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol?
2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol has a molecular weight of 415.28 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 67383342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).