2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide

C22H22N6O4 — CID 146591827

IUPAC2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1nc(OCCO)ccc1-n1cccn1
InChIInChI=1S/C22H22N6O4/c1-13(20-17(28-8-2-7-25-28)5-6-19(27-20)31-10-9-29)32-18-12-15-11-14(22(24)30)3-4-16(15)26-21(18)23/h2-8,11-13,29H,9-10H2,1H3,(H2,23,26)(H2,24,30)/t13-/m0/s1
InChIKeyFFRJYGDBXWKUDB-ZDUSSCGKSA-N
MW434.46 g/mol
LogP2.01
Rot. Bonds8

About 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide

2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide (PubChem CID 146591827) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide
PubChem CID146591827
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1nc(OCCO)ccc1-n1cccn1
InChIInChI=1S/C22H22N6O4/c1-13(20-17(28-8-2-7-25-28)5-6-19(27-20)31-10-9-29)32-18-12-15-11-14(22(24)30)3-4-16(15)26-21(18)23/h2-8,11-13,29H,9-10H2,1H3,(H2,23,26)(H2,24,30)/t13-/m0/s1
InChIKeyFFRJYGDBXWKUDB-ZDUSSCGKSA-N
XLogP2.01
TPSA151.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
CID 155294521
3-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoic acid
CID 146591759
3-[3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylphenyl]propanoic acid
CID 146591811
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoic acid
CID 146591855
2-amino-8-fluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146591864
3-[(1S)-1-(2-amino-5,8-difluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoic acid
CID 146591936
2-[[6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-2-pyridinyl]oxy]ethanol
CID 146591989
2-amino-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinoline-6-carboxamide
CID 146592045
2-amino-3-[(1S)-1-(5-pyrazol-1-yl-1H-indazol-6-yl)ethoxy]quinoline-6-carboxamide
CID 146592118
2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide
CID 146592134
2-amino-3-[(1S)-1-(4,5-difluoro-2-pyrazol-1-ylphenyl)ethoxy]quinoline-6-carboxamide
CID 162673556
prop-2-enyl (2S,3S,4S,5R,6S)-6-[3-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
CID 162663029

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide (CID 146591827) is 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide is C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1nc(OCCO)ccc1-n1cccn1.
What is the InChIKey of 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide?
The InChIKey is FFRJYGDBXWKUDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-13(20-17(28-8-2-7-25-28)5-6-19(27-20)31-10-9-29)32-18-12-15-11-14(22(24)30)3-4-16(15)26-21(18)23/h2-8,11-13,29H,9-10H2,1H3,(H2,23,26)(H2,24,30)/t13-/m0/s1.
What are the key properties of 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide?
2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyrazol-1-yl-2-pyridinyl]ethoxy]quinoline-6-carboxamide is sourced from PubChem (CID 146591827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).