3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

C18H22N6 — CID 59618833

IUPAC3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)c12
InChIInChI=1S/C18H22N6/c1-13-17-16(22-21-13)7-8-19-18(17)20-14-3-5-15(6-4-14)24-11-9-23(2)10-12-24/h3-8H,9-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOUGZHPGQCMDLBF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 59618833) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID59618833
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)c12
InChIInChI=1S/C18H22N6/c1-13-17-16(22-21-13)7-8-19-18(17)20-14-3-5-15(6-4-14)24-11-9-23(2)10-12-24/h3-8H,9-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOUGZHPGQCMDLBF-UHFFFAOYSA-N
XLogP2.76
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619116
2-methyl-N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-5-amine
CID 59618975
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138076
N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913521
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
6-methyl-5-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011969
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141081126
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
N-phenyl-3-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 71007787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 59618833) is 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is Cc1[nH]nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)c12.
What is the InChIKey of 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is OUGZHPGQCMDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-17-16(22-21-13)7-8-19-18(17)20-14-3-5-15(6-4-14)24-11-9-23(2)10-12-24/h3-8H,9-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 59618833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).