N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide

C25H27N5O3 — CID 24900507

IUPACN-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide
SMILESC[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)cc12)c1ccccc1
InChIInChI=1S/C25H27N5O3/c1-17(18-7-3-2-4-8-18)28-24-21-15-22(29-25(21)27-16-26-24)19-10-12-20(13-11-19)33-14-6-5-9-23(31)30-32/h2-4,7-8,10-13,15-17,32H,5-6,9,14H2,1H3,(H,30,31)(H2,26,27,28,29)/t17-/m1/s1
InChIKeyBJVFDJMSCQOJHZ-QGZVFWFLSA-N
MW445.52 g/mol
LogP4.85
Rot. Bonds10

About N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide

N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide (PubChem CID 24900507) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide
PubChem CID24900507
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide
SMILESC[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)cc12)c1ccccc1
InChIInChI=1S/C25H27N5O3/c1-17(18-7-3-2-4-8-18)28-24-21-15-22(29-25(21)27-16-26-24)19-10-12-20(13-11-19)33-14-6-5-9-23(31)30-32/h2-4,7-8,10-13,15-17,32H,5-6,9,14H2,1H3,(H,30,31)(H2,26,27,28,29)/t17-/m1/s1
InChIKeyBJVFDJMSCQOJHZ-QGZVFWFLSA-N
XLogP4.85
TPSA112.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide 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 N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide?
The IUPAC name of N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide (CID 24900507) is N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide.
What is the SMILES notation for N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide?
The canonical SMILES for N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide is C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)cc12)c1ccccc1.
What is the InChIKey of N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide?
The InChIKey is BJVFDJMSCQOJHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17(18-7-3-2-4-8-18)28-24-21-15-22(29-25(21)27-16-26-24)19-10-12-20(13-11-19)33-14-6-5-9-23(31)30-32/h2-4,7-8,10-13,15-17,32H,5-6,9,14H2,1H3,(H,30,31)(H2,26,27,28,29)/t17-/m1/s1.
What are the key properties of N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide?
N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide has a molecular weight of 445.52 g/mol, XLogP of 4.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]pentanamide is sourced from PubChem (CID 24900507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).