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

C21H19Cl2N7O — CID 67383552

IUPAC1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(Nc3nccc4[nH]c(-c5c(Cl)cccc5Cl)nc34)ncn2)CC1
InChIInChI=1S/C21H19Cl2N7O/c22-13-2-1-3-14(23)18(13)20-27-15-4-7-24-21(19(15)29-20)28-16-10-17(26-11-25-16)30-8-5-12(31)6-9-30/h1-4,7,10-12,31H,5-6,8-9H2,(H,27,29)(H,24,25,26,28)
InChIKeyJOTKUSGHYJSSQO-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.43
Rot. Bonds4

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

1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 67383552) has the molecular formula C21H19Cl2N7O and a molecular weight of 456.34 g/mol. Its IUPAC name is 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID67383552
Molecular FormulaC21H19Cl2N7O
Molecular Weight456.34 g/mol
Exact Mass455.10
IUPAC Name1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(Nc3nccc4[nH]c(-c5c(Cl)cccc5Cl)nc34)ncn2)CC1
InChIInChI=1S/C21H19Cl2N7O/c22-13-2-1-3-14(23)18(13)20-27-15-4-7-24-21(19(15)29-20)28-16-10-17(26-11-25-16)30-8-5-12(31)6-9-30/h1-4,7,10-12,31H,5-6,8-9H2,(H,27,29)(H,24,25,26,28)
InChIKeyJOTKUSGHYJSSQO-UHFFFAOYSA-N
XLogP4.43
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 67383552) is 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(Nc3nccc4[nH]c(-c5c(Cl)cccc5Cl)nc34)ncn2)CC1.
What is the InChIKey of 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is JOTKUSGHYJSSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N7O/c22-13-2-1-3-14(23)18(13)20-27-15-4-7-24-21(19(15)29-20)28-16-10-17(26-11-25-16)30-8-5-12(31)6-9-30/h1-4,7,10-12,31H,5-6,8-9H2,(H,27,29)(H,24,25,26,28).
What are the key properties of 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 456.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 67383552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).