N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate

C31H39N7O3 — CID 144847108

IUPACN-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate
SMILESCC(=O)N(C)c1cnc2ccc(-c3ccc(-c4cnn(C)c4)nc3)cc2c1N.CC(C)(C)OC(=O)N1CCCCC1
InChIInChI=1S/C21H20N6O.C10H19NO2/c1-13(28)27(3)20-11-24-19-7-4-14(8-17(19)21(20)22)15-5-6-18(23-9-15)16-10-25-26(2)12-16;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-12H,1-3H3,(H2,22,24);4-8H2,1-3H3
InChIKeyLUMJHKGLPCUJRV-UHFFFAOYSA-N
MW557.70 g/mol
LogP5.67
Rot. Bonds3

About N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate

N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate (PubChem CID 144847108) has the molecular formula C31H39N7O3 and a molecular weight of 557.70 g/mol. Its IUPAC name is N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate.

Molecular Properties

Compound NameN-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate
PubChem CID144847108
Molecular FormulaC31H39N7O3
Molecular Weight557.70 g/mol
Exact Mass557.31
IUPAC NameN-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate
SMILESCC(=O)N(C)c1cnc2ccc(-c3ccc(-c4cnn(C)c4)nc3)cc2c1N.CC(C)(C)OC(=O)N1CCCCC1
InChIInChI=1S/C21H20N6O.C10H19NO2/c1-13(28)27(3)20-11-24-19-7-4-14(8-17(19)21(20)22)15-5-6-18(23-9-15)16-10-25-26(2)12-16;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-12H,1-3H3,(H2,22,24);4-8H2,1-3H3
InChIKeyLUMJHKGLPCUJRV-UHFFFAOYSA-N
XLogP5.67
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl (3R)-3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]pyrrolidine-1-carboxylate;1-cyclopentyl-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;deuterioethane;methane;methanesulfonyl chloride;3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]quinolin-2-one;hydrochloride
CID 159241203
tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121409563
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101795
tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
CID 163302303
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
tert-butyl (3R)-3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]piperidine-1-carboxylate
CID 140893341
tert-butyl (3S)-3-[(1S)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]piperidine-1-carboxylate
CID 140893340
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine
CID 144847102
tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
CID 144847195
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
1-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101866
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate?
The IUPAC name of N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate (CID 144847108) is N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate.
What is the SMILES notation for N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate?
The canonical SMILES for N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate is CC(=O)N(C)c1cnc2ccc(-c3ccc(-c4cnn(C)c4)nc3)cc2c1N.CC(C)(C)OC(=O)N1CCCCC1.
What is the InChIKey of N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate?
The InChIKey is LUMJHKGLPCUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.C10H19NO2/c1-13(28)27(3)20-11-24-19-7-4-14(8-17(19)21(20)22)15-5-6-18(23-9-15)16-10-25-26(2)12-16;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-12H,1-3H3,(H2,22,24);4-8H2,1-3H3.
What are the key properties of N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate?
N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate has a molecular weight of 557.70 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]quinolin-3-yl]-N-methylacetamide;tert-butyl piperidine-1-carboxylate is sourced from PubChem (CID 144847108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).