6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine

C19H16BrN5O — CID 146592104

IUPAC6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
SMILESC[C@H](Oc1cc2cc(Br)ccc2nc1N)c1ncccc1-n1cccn1
InChIInChI=1S/C19H16BrN5O/c1-12(18-16(4-2-7-22-18)25-9-3-8-23-25)26-17-11-13-10-14(20)5-6-15(13)24-19(17)21/h2-12H,1H3,(H2,21,24)/t12-/m0/s1
InChIKeyCZNDSPZUIZMNFW-LBPRGKRZSA-N
MW410.28 g/mol
LogP4.30
Rot. Bonds4

About 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine

6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine (PubChem CID 146592104) has the molecular formula C19H16BrN5O and a molecular weight of 410.28 g/mol. Its IUPAC name is 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
PubChem CID146592104
Molecular FormulaC19H16BrN5O
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
SMILESC[C@H](Oc1cc2cc(Br)ccc2nc1N)c1ncccc1-n1cccn1
InChIInChI=1S/C19H16BrN5O/c1-12(18-16(4-2-7-22-18)25-9-3-8-23-25)26-17-11-13-10-14(20)5-6-15(13)24-19(17)21/h2-12H,1H3,(H2,21,24)/t12-/m0/s1
InChIKeyCZNDSPZUIZMNFW-LBPRGKRZSA-N
XLogP4.30
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-2-fluoro-4-pyrazol-1-ylbenzamide
CID 146592081
6-[(1S)-1-(2-amino-6-methylquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 159217465
2-amino-7-fluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591961
5,8-difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine
CID 146591927
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoate
CID 166016201
2-amino-1-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]ethanone
CID 158755647
6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146592038
5-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]-3H-1,3,4-oxadiazol-2-one
CID 146592166
[3-[(1S)-1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-1,5-naphthyridin-2-yl]carbamic acid
CID 146591911
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-N-(3-hydroxycyclobutyl)-4-pyrazol-1-ylbenzamide
CID 146591915
6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146591926
6-bromo-4-pyrazol-1-ylquinoline
CID 162750706

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The IUPAC name of 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine (CID 146592104) is 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine.
What is the SMILES notation for 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The canonical SMILES for 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine is C[C@H](Oc1cc2cc(Br)ccc2nc1N)c1ncccc1-n1cccn1.
What is the InChIKey of 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
The InChIKey is CZNDSPZUIZMNFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16BrN5O/c1-12(18-16(4-2-7-22-18)25-9-3-8-23-25)26-17-11-13-10-14(20)5-6-15(13)24-19(17)21/h2-12H,1H3,(H2,21,24)/t12-/m0/s1.
What are the key properties of 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine?
6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine has a molecular weight of 410.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(1S)-1-(3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-amine is sourced from PubChem (CID 146592104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).