2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol

C19H17N5O — CID 136611138

IUPAC2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESC[C@H](Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccccc1
InChIInChI=1S/C19H17N5O/c1-12(13-6-3-2-4-7-13)22-19-23-16(18(25)24-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12,25H,1H3,(H2,22,23,24)/t12-/m0/s1
InChIKeyBSYRZQAYDCJVEM-LBPRGKRZSA-N
MW331.38 g/mol
LogP3.94
Rot. Bonds4

About 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol

2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (PubChem CID 136611138) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
PubChem CID136611138
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESC[C@H](Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccccc1
InChIInChI=1S/C19H17N5O/c1-12(13-6-3-2-4-7-13)22-19-23-16(18(25)24-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12,25H,1H3,(H2,22,23,24)/t12-/m0/s1
InChIKeyBSYRZQAYDCJVEM-LBPRGKRZSA-N
XLogP3.94
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-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

2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136660575
2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136652744
2-phenyl-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135463519
2-(1-adamantylmethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 161343449
2-(furan-2-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136627613
2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136628332
2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 159124390
1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide
CID 135712466
2-[3-(hydroxymethyl)piperidin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712643
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712650
2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol
CID 136649248
5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol
CID 137195787

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The IUPAC name of 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (CID 136611138) is 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is C[C@H](Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The InChIKey is BSYRZQAYDCJVEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12(13-6-3-2-4-7-13)22-19-23-16(18(25)24-19)10-14-11-21-17-15(14)8-5-9-20-17/h2-12,25H,1H3,(H2,22,23,24)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol has a molecular weight of 331.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 136611138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).