5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid

C19H20N4O4 — CID 146172201

IUPAC5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid
SMILESO=C(O)n1c(-c2cnc(N3CCC(CO)CC3)nc2)cc2cc(O)ccc21
InChIInChI=1S/C19H20N4O4/c24-11-12-3-5-22(6-4-12)18-20-9-14(10-21-18)17-8-13-7-15(25)1-2-16(13)23(17)19(26)27/h1-2,7-10,12,24-25H,3-6,11H2,(H,26,27)
InChIKeyCVFOPVKSPUPLEO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.54
Rot. Bonds3

About 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid

5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid (PubChem CID 146172201) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid
PubChem CID146172201
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid
SMILESO=C(O)n1c(-c2cnc(N3CCC(CO)CC3)nc2)cc2cc(O)ccc21
InChIInChI=1S/C19H20N4O4/c24-11-12-3-5-22(6-4-12)18-20-9-14(10-21-18)17-8-13-7-15(25)1-2-16(13)23(17)19(26)27/h1-2,7-10,12,24-25H,3-6,11H2,(H,26,27)
InChIKeyCVFOPVKSPUPLEO-UHFFFAOYSA-N
XLogP2.54
TPSA111.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate
CID 146172265
1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
CID 57407163
tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
CID 155296742
[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 116976091
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114194642
[1-[5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-2-pyridinyl]piperidin-4-yl]methanol;2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 146172104
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 176983424
[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 116976620
[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol
CID 47281088
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655
2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-4-carbothioamide
CID 107546542

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid (CID 146172201) is 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid is O=C(O)n1c(-c2cnc(N3CCC(CO)CC3)nc2)cc2cc(O)ccc21.
What is the InChIKey of 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid?
The InChIKey is CVFOPVKSPUPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-11-12-3-5-22(6-4-12)18-20-9-14(10-21-18)17-8-13-7-15(25)1-2-16(13)23(17)19(26)27/h1-2,7-10,12,24-25H,3-6,11H2,(H,26,27).
What are the key properties of 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid?
5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid is sourced from PubChem (CID 146172201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).