6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol

C18H25N5O2 — CID 123469385

IUPAC6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCOCC(N)CNc1cc2c(c(Nc3cccc(C)c3)n1)C(O)NC2
InChIInChI=1S/C18H25N5O2/c1-11-4-3-5-14(6-11)22-17-16-12(8-21-18(16)24)7-15(23-17)20-9-13(19)10-25-2/h3-7,13,18,21,24H,8-10,19H2,1-2H3,(H2,20,22,23)
InChIKeyTWFSJSSXIJVKRP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.61
Rot. Bonds7

About 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol

6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 123469385) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID123469385
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
SMILESCOCC(N)CNc1cc2c(c(Nc3cccc(C)c3)n1)C(O)NC2
InChIInChI=1S/C18H25N5O2/c1-11-4-3-5-14(6-11)22-17-16-12(8-21-18(16)24)7-15(23-17)20-9-13(19)10-25-2/h3-7,13,18,21,24H,8-10,19H2,1-2H3,(H2,20,22,23)
InChIKeyTWFSJSSXIJVKRP-UHFFFAOYSA-N
XLogP1.61
TPSA104.46 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol 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

[6-Amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol
CID 57095095
6-[(2-aminocyclohexyl)amino]-7-fluoro-4-[2-(4-fluorophenyl)ethenyl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 123764003
6-[(2-amino-3-methoxypropyl)amino]-7-fluoro-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 123834719
amino-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanol
CID 129192290
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 134532797
1-[(3S)-3-[[7-fluoro-3-hydroxy-4-(4-morpholin-4-ylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]azepan-1-yl]prop-2-en-1-one
CID 154991959
6-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-3-isocyano-2-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 58333180
2-[[3-isocyano-6-[(1-methyl-3H-2,1-benzoxaborol-5-yl)amino]-2-pyridinyl]amino]ethanol
CID 58333195
3-isocyano-2-N-(2-methoxyethyl)-2-N-methyl-6-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridine-2,6-diamine
CID 58333198
6-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-3-isocyano-2-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 58333203
2-[[3-isocyano-6-[(1-methyl-3H-2,1-benzoxaborol-5-yl)amino]-2-pyridinyl]-methylamino]ethanol
CID 58333212
[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]methanol
CID 68961925

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol (CID 123469385) is 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol is COCC(N)CNc1cc2c(c(Nc3cccc(C)c3)n1)C(O)NC2.
What is the InChIKey of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is TWFSJSSXIJVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-4-3-5-14(6-11)22-17-16-12(8-21-18(16)24)7-15(23-17)20-9-13(19)10-25-2/h3-7,13,18,21,24H,8-10,19H2,1-2H3,(H2,20,22,23).
What are the key properties of 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol?
6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 343.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-methoxypropyl)amino]-4-(3-methylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 123469385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).