[3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol

C19H22N4O — CID 72706843

IUPAC[3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
SMILESC[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(CO)c4)c23)C1
InChIInChI=1S/C19H22N4O/c1-13-4-3-7-23(10-13)19-17-16(9-20-18(17)21-12-22-19)15-6-2-5-14(8-15)11-24/h2,5-6,8-9,12-13,24H,3-4,7,10-11H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyJMOMEVFJRJVJNY-ZDUSSCGKSA-N
MW322.41 g/mol
LogP3.35
Rot. Bonds3

About [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol

[3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol (PubChem CID 72706843) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
PubChem CID72706843
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
SMILESC[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(CO)c4)c23)C1
InChIInChI=1S/C19H22N4O/c1-13-4-3-7-23(10-13)19-17-16(9-20-18(17)21-12-22-19)15-6-2-5-14(8-15)11-24/h2,5-6,8-9,12-13,24H,3-4,7,10-11H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyJMOMEVFJRJVJNY-ZDUSSCGKSA-N
XLogP3.35
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol with MolForge

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Related Compounds

3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
(2S)-2-[[6-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117803897
2-amino-4-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 129320519
[(1S)-6-[5-[3-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1H-inden-1-yl]cyanamide
CID 145988956
5-Phenyl-7-(4-hydroxymethylphenyl)-4-aminopyrrolo[2,3-d]pyrimidine
CID 10471016
3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenol
CID 18792927
[3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 25068614
2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-phenyl-propan-1-ol
CID 44381508
[3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-phenyl]-methanol
CID 44384547
[2-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-phenyl]-methanol
CID 44384548
[3-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
CID 44600650

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol (CID 72706843) is [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol is C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(CO)c4)c23)C1.
What is the InChIKey of [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is JMOMEVFJRJVJNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-4-3-7-23(10-13)19-17-16(9-20-18(17)21-12-22-19)15-6-2-5-14(8-15)11-24/h2,5-6,8-9,12-13,24H,3-4,7,10-11H2,1H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
[3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 322.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 72706843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).