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

C20H22N4O3 — CID 95226886

IUPAC5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2c2cccc(O)c2)c1O
InChIInChI=1S/C20H22N4O3/c1-12-20(27)16(14(10-25)8-21-12)9-24-6-5-17-18(23-11-22-17)19(24)13-3-2-4-15(26)7-13/h2-4,7-8,11,19,25-27H,5-6,9-10H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyMTGRNPJSAJFJGZ-IBGZPJMESA-N
MW366.42 g/mol
LogP2.16
Rot. Bonds4

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

5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol (PubChem CID 95226886) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol
PubChem CID95226886
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2c2cccc(O)c2)c1O
InChIInChI=1S/C20H22N4O3/c1-12-20(27)16(14(10-25)8-21-12)9-24-6-5-17-18(23-11-22-17)19(24)13-3-2-4-15(26)7-13/h2-4,7-8,11,19,25-27H,5-6,9-10H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyMTGRNPJSAJFJGZ-IBGZPJMESA-N
XLogP2.16
TPSA105.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol (CID 95226886) is 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol is Cc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2c2cccc(O)c2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol?
The InChIKey is MTGRNPJSAJFJGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-20(27)16(14(10-25)8-21-12)9-24-6-5-17-18(23-11-22-17)19(24)13-3-2-4-15(26)7-13/h2-4,7-8,11,19,25-27H,5-6,9-10H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol has a molecular weight of 366.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 95226886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).