N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

C26H31N5O4 — CID 4298985

IUPACN-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)c2ncnc3c2[nH]c2ccc(OC)cc23)c1
InChIInChI=1S/C26H31N5O4/c1-32-19-5-7-23(34-3)18(14-19)16-31(9-8-30-10-12-35-13-11-30)26-25-24(27-17-28-26)21-15-20(33-2)4-6-22(21)29-25/h4-7,14-15,17,29H,8-13,16H2,1-3H3
InChIKeyRNUUDHKYTSUORV-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.48
Rot. Bonds9

About N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 4298985) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID4298985
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)c2ncnc3c2[nH]c2ccc(OC)cc23)c1
InChIInChI=1S/C26H31N5O4/c1-32-19-5-7-23(34-3)18(14-19)16-31(9-8-30-10-12-35-13-11-30)26-25-24(27-17-28-26)21-15-20(33-2)4-6-22(21)29-25/h4-7,14-15,17,29H,8-13,16H2,1-3H3
InChIKeyRNUUDHKYTSUORV-UHFFFAOYSA-N
XLogP3.48
TPSA84.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-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

N-[(2,3-dimethoxyphenyl)methyl]-8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3795947
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
CID 3762053
2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42833797
1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681
3,4-diethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 43997472
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2031324
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809737
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 4298985) is N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is COc1ccc(OC)c(CN(CCN2CCOCC2)c2ncnc3c2[nH]c2ccc(OC)cc23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is RNUUDHKYTSUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-32-19-5-7-23(34-3)18(14-19)16-31(9-8-30-10-12-35-13-11-30)26-25-24(27-17-28-26)21-15-20(33-2)4-6-22(21)29-25/h4-7,14-15,17,29H,8-13,16H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 477.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-8-methoxy-N-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 4298985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).