[1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol

C19H17N7O — CID 53390478

IUPAC[1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol
SMILESCn1nc(Nc2cc(-c3cnc4cc[nH]c4c3)cn3ccnc23)cc1CO
InChIInChI=1S/C19H17N7O/c1-25-14(11-27)8-18(24-25)23-17-7-13(10-26-5-4-21-19(17)26)12-6-16-15(22-9-12)2-3-20-16/h2-10,20,27H,11H2,1H3,(H,23,24)
InChIKeyYEYVGVKGXYMVCC-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.85
Rot. Bonds4

About [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol

[1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol (PubChem CID 53390478) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol
PubChem CID53390478
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name[1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol
SMILESCn1nc(Nc2cc(-c3cnc4cc[nH]c4c3)cn3ccnc23)cc1CO
InChIInChI=1S/C19H17N7O/c1-25-14(11-27)8-18(24-25)23-17-7-13(10-26-5-4-21-19(17)26)12-6-16-15(22-9-12)2-3-20-16/h2-10,20,27H,11H2,1H3,(H,23,24)
InChIKeyYEYVGVKGXYMVCC-UHFFFAOYSA-N
XLogP2.85
TPSA96.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol?
The IUPAC name of [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol (CID 53390478) is [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol?
The canonical SMILES for [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol is Cn1nc(Nc2cc(-c3cnc4cc[nH]c4c3)cn3ccnc23)cc1CO.
What is the InChIKey of [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol?
The InChIKey is YEYVGVKGXYMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-25-14(11-27)8-18(24-25)23-17-7-13(10-26-5-4-21-19(17)26)12-6-16-15(22-9-12)2-3-20-16/h2-10,20,27H,11H2,1H3,(H,23,24).
What are the key properties of [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol?
[1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol has a molecular weight of 359.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyrazol-5-yl]methanol is sourced from PubChem (CID 53390478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).