2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide

C19H22N6O2 — CID 15858664

IUPAC2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1
InChIInChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)
InChIKeyCHWHVQUNCYDPDK-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.51
Rot. Bonds4

About 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide

2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide (PubChem CID 15858664) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide
PubChem CID15858664
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1
InChIInChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)
InChIKeyCHWHVQUNCYDPDK-UHFFFAOYSA-N
XLogP1.51
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide (CID 15858664) is 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1.
What is the InChIKey of 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The InChIKey is CHWHVQUNCYDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23).
What are the key properties of 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide?
2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 15858664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).