(2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide

C25H25N5O2 — CID 51000856

IUPAC(2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H25N5O2/c31-22(17-6-2-1-3-7-17)25(32)29-20-10-4-8-18(14-20)19-9-5-13-30(15-19)24-21-11-12-26-23(21)27-16-28-24/h1-4,6-8,10-12,14,16,19,22,31H,5,9,13,15H2,(H,29,32)(H,26,27,28)/t19?,22-/m1/s1
InChIKeyBYEIKFHFJVSWIX-AVKWCDSFSA-N
MW427.51 g/mol
LogP4.01
Rot. Bonds5

About (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide

(2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide (PubChem CID 51000856) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide
PubChem CID51000856
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name(2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H25N5O2/c31-22(17-6-2-1-3-7-17)25(32)29-20-10-4-8-18(14-20)19-9-5-13-30(15-19)24-21-11-12-26-23(21)27-16-28-24/h1-4,6-8,10-12,14,16,19,22,31H,5,9,13,15H2,(H,29,32)(H,26,27,28)/t19?,22-/m1/s1
InChIKeyBYEIKFHFJVSWIX-AVKWCDSFSA-N
XLogP4.01
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide?
The IUPAC name of (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide (CID 51000856) is (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide?
The canonical SMILES for (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide is O=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide?
The InChIKey is BYEIKFHFJVSWIX-AVKWCDSFSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-22(17-6-2-1-3-7-17)25(32)29-20-10-4-8-18(14-20)19-9-5-13-30(15-19)24-21-11-12-26-23(21)27-16-28-24/h1-4,6-8,10-12,14,16,19,22,31H,5,9,13,15H2,(H,29,32)(H,26,27,28)/t19?,22-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide?
(2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenyl-N-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 51000856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).