methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

C24H33N5 — CID 161225949

IUPACmethane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESC.CN1CCN(c2ccc(Nc3ccc4c5c(n(C)c4n3)CCCC5)cc2)CC1
InChIInChI=1S/C23H29N5.CH4/c1-26-13-15-28(16-14-26)18-9-7-17(8-10-18)24-22-12-11-20-19-5-3-4-6-21(19)27(2)23(20)25-22;/h7-12H,3-6,13-16H2,1-2H3,(H,24,25);1H4
InChIKeyUYCWPEBMHUWNER-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.58
Rot. Bonds3

About methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (PubChem CID 161225949) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound Namemethane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
PubChem CID161225949
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC Namemethane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESC.CN1CCN(c2ccc(Nc3ccc4c5c(n(C)c4n3)CCCC5)cc2)CC1
InChIInChI=1S/C23H29N5.CH4/c1-26-13-15-28(16-14-26)18-9-7-17(8-10-18)24-22-12-11-20-19-5-3-4-6-21(19)27(2)23(20)25-22;/h7-12H,3-6,13-16H2,1-2H3,(H,24,25);1H4
InChIKeyUYCWPEBMHUWNER-UHFFFAOYSA-N
XLogP4.58
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
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

9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
CID 138711543
6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
CID 53494588
6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
CID 58512053
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-N-(2-methylphenyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901856
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-8-amine
CID 58512442
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
6-methyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907366

Frequently Asked Questions

What is the IUPAC name of methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The IUPAC name of methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (CID 161225949) is methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.
What is the SMILES notation for methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The canonical SMILES for methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is C.CN1CCN(c2ccc(Nc3ccc4c5c(n(C)c4n3)CCCC5)cc2)CC1.
What is the InChIKey of methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The InChIKey is UYCWPEBMHUWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5.CH4/c1-26-13-15-28(16-14-26)18-9-7-17(8-10-18)24-22-12-11-20-19-5-3-4-6-21(19)27(2)23(20)25-22;/h7-12H,3-6,13-16H2,1-2H3,(H,24,25);1H4.
What are the key properties of methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine has a molecular weight of 391.56 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 161225949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).