N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide

C19H17N7O — CID 155510646

IUPACN-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C19H17N7O/c1-2-18(27)21-13-5-7-14(8-6-13)22-19-20-10-9-16(24-19)23-17-11-15(25-26-17)12-3-4-12/h1,5-12H,3-4H2,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeyBDYFMUMRBWIKIC-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.14
Rot. Bonds6

About N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide

N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide (PubChem CID 155510646) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide
PubChem CID155510646
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C19H17N7O/c1-2-18(27)21-13-5-7-14(8-6-13)22-19-20-10-9-16(24-19)23-17-11-15(25-26-17)12-3-4-12/h1,5-12H,3-4H2,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeyBDYFMUMRBWIKIC-UHFFFAOYSA-N
XLogP3.14
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide 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-[4-({4-[(5-cyclopentyl-1H-pyrazol-3-yl)imino]-1,4-dihydropyrimidin-2-yl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 77232197
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 24949398
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949400
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
CID 45111332
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 122190497
N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylthio)phenyl)acetamide
CID 9924047
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 24949094
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 24949402

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide?
The IUPAC name of N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide (CID 155510646) is N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide.
What is the SMILES notation for N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide?
The canonical SMILES for N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide is C#CC(=O)Nc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide?
The InChIKey is BDYFMUMRBWIKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-2-18(27)21-13-5-7-14(8-6-13)22-19-20-10-9-16(24-19)23-17-11-15(25-26-17)12-3-4-12/h1,5-12H,3-4H2,(H,21,27)(H3,20,22,23,24,25,26).
What are the key properties of N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide?
N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide has a molecular weight of 359.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-ynamide is sourced from PubChem (CID 155510646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).