3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine

C22H24Cl2FN5O — CID 90961480

IUPAC3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn(CCN3CCCC3)c2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H24Cl2FN5O/c23-18-3-4-19(25)21(24)17(18)5-10-31-20-11-15(12-27-22(20)26)16-13-28-30(14-16)9-8-29-6-1-2-7-29/h3-4,11-14H,1-2,5-10H2,(H2,26,27)
InChIKeyFXZZXBKDDBOXPU-UHFFFAOYSA-N
MW464.37 g/mol
LogP4.69
Rot. Bonds8

About 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine

3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 90961480) has the molecular formula C22H24Cl2FN5O and a molecular weight of 464.37 g/mol. Its IUPAC name is 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
PubChem CID90961480
Molecular FormulaC22H24Cl2FN5O
Molecular Weight464.37 g/mol
Exact Mass463.13
IUPAC Name3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn(CCN3CCCC3)c2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H24Cl2FN5O/c23-18-3-4-19(25)21(24)17(18)5-10-31-20-11-15(12-27-22(20)26)16-13-28-30(14-16)9-8-29-6-1-2-7-29/h3-4,11-14H,1-2,5-10H2,(H2,26,27)
InChIKeyFXZZXBKDDBOXPU-UHFFFAOYSA-N
XLogP4.69
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
CID 91370323
[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 91589682
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123322795
N-[4-[6-amino-5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-2-piperidin-1-ylethanesulfonamide
CID 58886433
4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
CID 91405872
2-[4-[5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methyl-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 69045617
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,3-dimethyl-1,2-dihydroindol-5-yl)pyridin-2-amine
CID 90205558
5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 58659156
2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-1-(3-aminopyrrolidin-1-yl)ethanone
CID 91247830
5-[[4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]methyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 175543307
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
CID 21111083
4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
CID 69045854

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine (CID 90961480) is 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine is Nc1ncc(-c2cnn(CCN3CCCC3)c2)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is FXZZXBKDDBOXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN5O/c23-18-3-4-19(25)21(24)17(18)5-10-31-20-11-15(12-27-22(20)26)16-13-28-30(14-16)9-8-29-6-1-2-7-29/h3-4,11-14H,1-2,5-10H2,(H2,26,27).
What are the key properties of 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 464.37 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 90961480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).