N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine

C22H27N5 — CID 110130460

IUPACN-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
SMILESCc1ccc(CNc2cc(-c3cn[nH]c3C3CCN(C)C3)ccn2)cc1C
InChIInChI=1S/C22H27N5/c1-15-4-5-17(10-16(15)2)12-24-21-11-18(6-8-23-21)20-13-25-26-22(20)19-7-9-27(3)14-19/h4-6,8,10-11,13,19H,7,9,12,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyKWQXNQLLTHTHRB-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.12
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine

N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine (PubChem CID 110130460) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
PubChem CID110130460
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
SMILESCc1ccc(CNc2cc(-c3cn[nH]c3C3CCN(C)C3)ccn2)cc1C
InChIInChI=1S/C22H27N5/c1-15-4-5-17(10-16(15)2)12-24-21-11-18(6-8-23-21)20-13-25-26-22(20)19-7-9-27(3)14-19/h4-6,8,10-11,13,19H,7,9,12,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyKWQXNQLLTHTHRB-UHFFFAOYSA-N
XLogP4.12
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

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-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile
CID 66559551
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 118139435
N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-ylpyrrolidine-1-carboxamide
CID 118139808
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
Arylpyrazole, 23
CID 44143423

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine (CID 110130460) is N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine is Cc1ccc(CNc2cc(-c3cn[nH]c3C3CCN(C)C3)ccn2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine?
The InChIKey is KWQXNQLLTHTHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-15-4-5-17(10-16(15)2)12-24-21-11-18(6-8-23-21)20-13-25-26-22(20)19-7-9-27(3)14-19/h4-6,8,10-11,13,19H,7,9,12,14H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine?
N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine has a molecular weight of 361.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 110130460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).