6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine

C21H19ClF2N8O — CID 164560017

IUPAC6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(O/C(=C/N)c3ccccn3)c(Cl)c21
InChIInChI=1S/C21H19ClF2N8O/c1-31-18-17(22)14(33-13(10-25)12-5-2-3-7-26-12)11-27-19(18)29-20(31)28-16-9-15-21(23,24)6-4-8-32(15)30-16/h2-3,5,7,9-11H,4,6,8,25H2,1H3,(H,27,28,29,30)/b13-10+
InChIKeyHVCVRPMLNYUWRZ-JLHYYAGUSA-N
MW472.89 g/mol
LogP4.18
Rot. Bonds5

About 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine

6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 164560017) has the molecular formula C21H19ClF2N8O and a molecular weight of 472.89 g/mol. Its IUPAC name is 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID164560017
Molecular FormulaC21H19ClF2N8O
Molecular Weight472.89 g/mol
Exact Mass472.13
IUPAC Name6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(O/C(=C/N)c3ccccn3)c(Cl)c21
InChIInChI=1S/C21H19ClF2N8O/c1-31-18-17(22)14(33-13(10-25)12-5-2-3-7-26-12)11-27-19(18)29-20(31)28-16-9-15-21(23,24)6-4-8-32(15)30-16/h2-3,5,7,9-11H,4,6,8,25H2,1H3,(H,27,28,29,30)/b13-10+
InChIKeyHVCVRPMLNYUWRZ-JLHYYAGUSA-N
XLogP4.18
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.89
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine with MolForge

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Related Compounds

1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]urea
CID 52943828
3-(4-ethoxyphenyl)-N-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 71667612
US9266891, III-39
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6-(1,5-dimethyl-4-phenoxypyrazol-3-yl)-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 76071650
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
3-[3-(Difluoromethoxy)-2-pyridinyl]-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 76336233
7-methoxy-N-[[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57690993
7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691309
6-(5-methoxypyridin-3-yl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526616
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032846
US10336761, Example 75
CID 126484356
US10544143, Example 135
CID 138686560

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine (CID 164560017) is 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine is Cn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(O/C(=C/N)c3ccccn3)c(Cl)c21.
What is the InChIKey of 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HVCVRPMLNYUWRZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H19ClF2N8O/c1-31-18-17(22)14(33-13(10-25)12-5-2-3-7-26-12)11-27-19(18)29-20(31)28-16-9-15-21(23,24)6-4-8-32(15)30-16/h2-3,5,7,9-11H,4,6,8,25H2,1H3,(H,27,28,29,30)/b13-10+.
What are the key properties of 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine?
6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 472.89 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-amino-1-pyridin-2-ylethenoxy]-7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164560017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).