[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol

C23H25N5O2 — CID 71216560

IUPAC[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol
SMILESCOc1cc(C(O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN(C)C
InChIInChI=1S/C23H25N5O2/c1-28(2)14-16-11-10-15(13-20(16)30-3)23(29)26-18-8-5-4-7-17(18)21-25-19-9-6-12-24-22(19)27-21/h4-13,23,26,29H,14H2,1-3H3,(H,24,25,27)
InChIKeyBVHKRJDTEOJLGV-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.80
Rot. Bonds7

About [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol

[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol (PubChem CID 71216560) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol
PubChem CID71216560
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol
SMILESCOc1cc(C(O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN(C)C
InChIInChI=1S/C23H25N5O2/c1-28(2)14-16-11-10-15(13-20(16)30-3)23(29)26-18-8-5-4-7-17(18)21-25-19-9-6-12-24-22(19)27-21/h4-13,23,26,29H,14H2,1-3H3,(H,24,25,27)
InChIKeyBVHKRJDTEOJLGV-UHFFFAOYSA-N
XLogP3.80
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol (CID 71216560) is [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol is COc1cc(C(O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN(C)C.
What is the InChIKey of [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol?
The InChIKey is BVHKRJDTEOJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-28(2)14-16-11-10-15(13-20(16)30-3)23(29)26-18-8-5-4-7-17(18)21-25-19-9-6-12-24-22(19)27-21/h4-13,23,26,29H,14H2,1-3H3,(H,24,25,27).
What are the key properties of [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol?
[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol has a molecular weight of 403.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol is sourced from PubChem (CID 71216560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).