1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol

C17H17ClN4O — CID 166632963

IUPAC1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1
InChIInChI=1S/C17H17ClN4O/c18-12-3-1-2-11(8-12)14-9-19-16-15(14)17(21-10-20-16)22-6-4-13(23)5-7-22/h1-3,8-10,13,23H,4-7H2,(H,19,20,21)
InChIKeyHVELYDDHAUZMMJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.24
Rot. Bonds2

About 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol

1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 166632963) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID166632963
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1
InChIInChI=1S/C17H17ClN4O/c18-12-3-1-2-11(8-12)14-9-19-16-15(14)17(21-10-20-16)22-6-4-13(23)5-7-22/h1-3,8-10,13,23H,4-7H2,(H,19,20,21)
InChIKeyHVELYDDHAUZMMJ-UHFFFAOYSA-N
XLogP3.24
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 166632963) is 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2ncnc3[nH]cc(-c4cccc(Cl)c4)c23)CC1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is HVELYDDHAUZMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-12-3-1-2-11(8-12)14-9-19-16-15(14)17(21-10-20-16)22-6-4-13(23)5-7-22/h1-3,8-10,13,23H,4-7H2,(H,19,20,21).
What are the key properties of 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 328.80 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 166632963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).