9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

C22H27N5O — CID 138711543

IUPAC9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCN1CCN(Oc2ccc(Nc3ccc4c5c(n(C)c4n3)CCCC5)cc2)C1
InChIInChI=1S/C22H27N5O/c1-25-13-14-27(15-25)28-17-9-7-16(8-10-17)23-21-12-11-19-18-5-3-4-6-20(18)26(2)22(19)24-21/h7-12H,3-6,13-15H2,1-2H3,(H,23,24)
InChIKeyIUQKIBXZQYCNEW-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.69
Rot. Bonds4

About 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (PubChem CID 138711543) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound Name9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
PubChem CID138711543
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCN1CCN(Oc2ccc(Nc3ccc4c5c(n(C)c4n3)CCCC5)cc2)C1
InChIInChI=1S/C22H27N5O/c1-25-13-14-27(15-25)28-17-9-7-16(8-10-17)23-21-12-11-19-18-5-3-4-6-20(18)26(2)22(19)24-21/h7-12H,3-6,13-15H2,1-2H3,(H,23,24)
InChIKeyIUQKIBXZQYCNEW-UHFFFAOYSA-N
XLogP3.69
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;9-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
CID 161225949
6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
CID 58512053
6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
CID 53494588
11-(3,4-difluoroanilino)-4-(2-hydroxyethyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
CID 118261943
11-[4-fluoro-3-(2-fluoroethoxy)anilino]-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
CID 118262607
N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
CID 84613696
4-(4-methylpiperazin-1-yl)oxybenzamide
CID 141124699
N-(4-fluorophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 118262333
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367110
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
5-[[9-methyl-6-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl]amino]morpholin-3-one
CID 121382343

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The IUPAC name of 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (CID 138711543) is 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.
What is the SMILES notation for 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The canonical SMILES for 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is CN1CCN(Oc2ccc(Nc3ccc4c5c(n(C)c4n3)CCCC5)cc2)C1.
What is the InChIKey of 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The InChIKey is IUQKIBXZQYCNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-25-13-14-27(15-25)28-17-9-7-16(8-10-17)23-21-12-11-19-18-5-3-4-6-20(18)26(2)22(19)24-21/h7-12H,3-6,13-15H2,1-2H3,(H,23,24).
What are the key properties of 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine has a molecular weight of 377.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[4-(3-methylimidazolidin-1-yl)oxyphenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 138711543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).