N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide

C21H26N6O — CID 166921805

IUPACN-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide
SMILESCc1ccc(NC=O)cc1N1CC(c2cncc(N3CCN(C)CC3)c2)C=N1
InChIInChI=1S/C21H26N6O/c1-16-3-4-19(23-15-28)10-21(16)27-14-18(12-24-27)17-9-20(13-22-11-17)26-7-5-25(2)6-8-26/h3-4,9-13,15,18H,5-8,14H2,1-2H3,(H,23,28)
InChIKeyUOYDWGQYZJCUSQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.30
Rot. Bonds5

About N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide

N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide (PubChem CID 166921805) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide
PubChem CID166921805
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide
SMILESCc1ccc(NC=O)cc1N1CC(c2cncc(N3CCN(C)CC3)c2)C=N1
InChIInChI=1S/C21H26N6O/c1-16-3-4-19(23-15-28)10-21(16)27-14-18(12-24-27)17-9-20(13-22-11-17)26-7-5-25(2)6-8-26/h3-4,9-13,15,18H,5-8,14H2,1-2H3,(H,23,28)
InChIKeyUOYDWGQYZJCUSQ-UHFFFAOYSA-N
XLogP2.30
TPSA64.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide with MolForge

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Related Compounds

N-[4-methyl-3-[4-(5-phenyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 166921608
3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide
CID 142304522
N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide
CID 169085664
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazol-1-yl]phenyl]benzamide
CID 154688758
2-chloro-4-(methanethioylamino)benzoic acid;1-methyl-4-pyridin-3-ylpiperazine
CID 177332553
N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]formamide
CID 142022966
N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
CID 165118334
(5-formamido-2-methylphenyl)boronic acid
CID 168652597
N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
CID 134567230
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide?
The IUPAC name of N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide (CID 166921805) is N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide.
What is the SMILES notation for N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide?
The canonical SMILES for N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide is Cc1ccc(NC=O)cc1N1CC(c2cncc(N3CCN(C)CC3)c2)C=N1.
What is the InChIKey of N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide?
The InChIKey is UOYDWGQYZJCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16-3-4-19(23-15-28)10-21(16)27-14-18(12-24-27)17-9-20(13-22-11-17)26-7-5-25(2)6-8-26/h3-4,9-13,15,18H,5-8,14H2,1-2H3,(H,23,28).
What are the key properties of N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide?
N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide has a molecular weight of 378.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,4-dihydropyrazol-2-yl]phenyl]formamide is sourced from PubChem (CID 166921805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).