3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol

C17H19N5O — CID 18792927

IUPAC3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESNc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1
InChIInChI=1S/C17H19N5O/c18-16-15-14(11-2-1-3-13(23)8-11)9-22(17(15)21-10-20-16)12-4-6-19-7-5-12/h1-3,8-10,12,19,23H,4-7H2,(H2,18,20,21)
InChIKeyCIGMIXWAESLRNR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.31
Rot. Bonds2

About 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol

3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (PubChem CID 18792927) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
PubChem CID18792927
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESNc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1
InChIInChI=1S/C17H19N5O/c18-16-15-14(11-2-1-3-13(23)8-11)9-22(17(15)21-10-20-16)12-4-6-19-7-5-12/h1-3,8-10,12,19,23H,4-7H2,(H2,18,20,21)
InChIKeyCIGMIXWAESLRNR-UHFFFAOYSA-N
XLogP2.31
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Pki-166
CID 6918403
Nvp-aew541
CID 11476171
Cgp-77675
CID 5311381
Nvp-adw742
CID 9825149
7-(3-(azetidin-1-yl)cyclobutyl)-5-(3-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 45270897
7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
4-(3-Hydroxyphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 24772735
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792831
methyl 2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl)acetate
CID 11740563
2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl)acetamide
CID 15858664
3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The IUPAC name of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (CID 18792927) is 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCNCC1.
What is the InChIKey of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The InChIKey is CIGMIXWAESLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-16-15-14(11-2-1-3-13(23)8-11)9-22(17(15)21-10-20-16)12-4-6-19-7-5-12/h1-3,8-10,12,19,23H,4-7H2,(H2,18,20,21).
What are the key properties of 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol has a molecular weight of 309.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 18792927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).