N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide

C22H25N7O2 — CID 166628350

IUPACN-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)cn1)NO
InChIInChI=1S/C22H25N7O2/c30-20(27-31)10-6-1-2-7-12-28-16-18(15-24-28)25-22-23-14-17-11-13-29(21(17)26-22)19-8-4-3-5-9-19/h3-5,8-9,11,13-16,31H,1-2,6-7,10,12H2,(H,27,30)(H,23,25,26)
InChIKeyVBNFLAWTBQKDRK-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.82
Rot. Bonds10

About N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide

N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide (PubChem CID 166628350) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide
PubChem CID166628350
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)cn1)NO
InChIInChI=1S/C22H25N7O2/c30-20(27-31)10-6-1-2-7-12-28-16-18(15-24-28)25-22-23-14-17-11-13-29(21(17)26-22)19-8-4-3-5-9-19/h3-5,8-9,11,13-16,31H,1-2,6-7,10,12H2,(H,27,30)(H,23,25,26)
InChIKeyVBNFLAWTBQKDRK-UHFFFAOYSA-N
XLogP3.82
TPSA109.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-phenyl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10322057
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
N-hydroxy-7-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]octanamide
CID 137654793
N-[4-[[4-(1-but-3-enylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-N'-hydroxyoctanediamide
CID 145982623
N-(3-((6-((1-(2-Methoxyethyl)-1H-pyrazol-4-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)phenyl)acrylamide
CID 146478990
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338820
N-[11-methyl-4-(4-nitrophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 46206811
6-[4-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]triazol-1-yl]-N-hydroxyhexanamide
CID 72164776
6-[5-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]triazol-1-yl]-N-hydroxyhexanamide
CID 72164895
7-[5-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]triazol-1-yl]-N-hydroxyheptanamide
CID 72164896

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide (CID 166628350) is N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide is O=C(CCCCCCn1cc(Nc2ncc3ccn(-c4ccccc4)c3n2)cn1)NO.
What is the InChIKey of N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide?
The InChIKey is VBNFLAWTBQKDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c30-20(27-31)10-6-1-2-7-12-28-16-18(15-24-28)25-22-23-14-17-11-13-29(21(17)26-22)19-8-4-3-5-9-19/h3-5,8-9,11,13-16,31H,1-2,6-7,10,12H2,(H,27,30)(H,23,25,26).
What are the key properties of N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide?
N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide has a molecular weight of 419.49 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-[(7-phenylpyrrolo[2,3-d]pyrimidin-2-yl)amino]pyrazol-1-yl]heptanamide is sourced from PubChem (CID 166628350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).