6-(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 174018885

IUPAC6-(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(OC(=CN)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)
InChIKeyHVCVRPMLNYUWRZ-UHFFFAOYSA-N
MW472.89 g/mol
LogP4.18
Rot. Bonds5

About 6-(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-(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 174018885) has the molecular formula C21H19ClF2N8O and a molecular weight of 472.89 g/mol. Its IUPAC name is 6-(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-(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 CID174018885
Molecular FormulaC21H19ClF2N8O
Molecular Weight472.89 g/mol
Exact Mass472.13
IUPAC Name6-(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(OC(=CN)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)
InChIKeyHVCVRPMLNYUWRZ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(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-(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 174018885) is 6-(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-(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-(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(OC(=CN)c3ccccn3)c(Cl)c21.
What is the InChIKey of 6-(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-UHFFFAOYSA-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).
What are the key properties of 6-(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-(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-(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 174018885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).