4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol

C22H29N5O — CID 71131698

IUPAC4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol
SMILESCc1nc2nccc(C3Cc4cc(CNC(CO)CC(C)C)ccc4N3)c2[nH]1
InChIInChI=1S/C22H29N5O/c1-13(2)8-17(12-28)24-11-15-4-5-19-16(9-15)10-20(27-19)18-6-7-23-22-21(18)25-14(3)26-22/h4-7,9,13,17,20,24,27-28H,8,10-12H2,1-3H3,(H,23,25,26)
InChIKeyUGJLEVDSZVDHKB-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.47
Rot. Bonds7

About 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol

4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol (PubChem CID 71131698) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol
PubChem CID71131698
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol
SMILESCc1nc2nccc(C3Cc4cc(CNC(CO)CC(C)C)ccc4N3)c2[nH]1
InChIInChI=1S/C22H29N5O/c1-13(2)8-17(12-28)24-11-15-4-5-19-16(9-15)10-20(27-19)18-6-7-23-22-21(18)25-14(3)26-22/h4-7,9,13,17,20,24,27-28H,8,10-12H2,1-3H3,(H,23,25,26)
InChIKeyUGJLEVDSZVDHKB-UHFFFAOYSA-N
XLogP3.47
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol (CID 71131698) is 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol is Cc1nc2nccc(C3Cc4cc(CNC(CO)CC(C)C)ccc4N3)c2[nH]1.
What is the InChIKey of 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol?
The InChIKey is UGJLEVDSZVDHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-13(2)8-17(12-28)24-11-15-4-5-19-16(9-15)10-20(27-19)18-6-7-23-22-21(18)25-14(3)26-22/h4-7,9,13,17,20,24,27-28H,8,10-12H2,1-3H3,(H,23,25,26).
What are the key properties of 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol?
4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol has a molecular weight of 379.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 71131698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).