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

C19H21N7O — CID 155536712

IUPACN-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C19H21N7O/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/h5-12H,2-4H2,1H3,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeySWXUZZKSWIKFBE-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.91
Rot. Bonds7

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

N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide (PubChem CID 155536712) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide
PubChem CID155536712
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C19H21N7O/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/h5-12H,2-4H2,1H3,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeySWXUZZKSWIKFBE-UHFFFAOYSA-N
XLogP3.91
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide with MolForge

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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
(3S)-3-({5-Chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-3-(4-fluorophenyl)-N-methylpropanamide
CID 11441796
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-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
(3s)-3-({5-Chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-3-(4-fluorophenyl)-n,n-dimethylpropanamide
CID 24949093
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
(S)-5-Fluoro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
CID 24949552
[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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide (CID 155536712) is N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide is CCC(=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]propanamide?
The InChIKey is SWXUZZKSWIKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/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/h5-12H,2-4H2,1H3,(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]propanamide?
N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide has a molecular weight of 363.43 g/mol, XLogP of 3.91, 7 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]propanamide is sourced from PubChem (CID 155536712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).