4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C21H24N4O2 — CID 95207146

IUPAC4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2Cc2ccccc2)c1O
InChIInChI=1S/C21H24N4O2/c1-14-21(27)17(16(12-26)10-22-14)11-25-8-7-18-20(24-13-23-18)19(25)9-15-5-3-2-4-6-15/h2-6,10,13,19,26-27H,7-9,11-12H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyNYQBUDPOFZLSIS-IBGZPJMESA-N
MW364.45 g/mol
LogP2.65
Rot. Bonds5

About 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 95207146) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID95207146
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2Cc2ccccc2)c1O
InChIInChI=1S/C21H24N4O2/c1-14-21(27)17(16(12-26)10-22-14)11-25-8-7-18-20(24-13-23-18)19(25)9-15-5-3-2-4-6-15/h2-6,10,13,19,26-27H,7-9,11-12H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyNYQBUDPOFZLSIS-IBGZPJMESA-N
XLogP2.65
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 95207146) is 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2Cc2ccccc2)c1O.
What is the InChIKey of 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is NYQBUDPOFZLSIS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-21(27)17(16(12-26)10-22-14)11-25-8-7-18-20(24-13-23-18)19(25)9-15-5-3-2-4-6-15/h2-6,10,13,19,26-27H,7-9,11-12H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 364.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 95207146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).