4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide

C23H24N6O2 — CID 130470728

IUPAC4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCc1cn(C)nc1[C@@H](C)Nc1c(C(N)=O)cnc2ccc(-c3ccc(CO)nc3)cc12
InChIInChI=1S/C23H24N6O2/c1-13-11-29(3)28-21(13)14(2)27-22-18-8-15(16-4-6-17(12-30)25-9-16)5-7-20(18)26-10-19(22)23(24)31/h4-11,14,30H,12H2,1-3H3,(H2,24,31)(H,26,27)/t14-/m1/s1
InChIKeyRNBUIIHDBIKSRP-CQSZACIVSA-N
MW416.49 g/mol
LogP3.10
Rot. Bonds6

About 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide

4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide (PubChem CID 130470728) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
PubChem CID130470728
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCc1cn(C)nc1[C@@H](C)Nc1c(C(N)=O)cnc2ccc(-c3ccc(CO)nc3)cc12
InChIInChI=1S/C23H24N6O2/c1-13-11-29(3)28-21(13)14(2)27-22-18-8-15(16-4-6-17(12-30)25-9-16)5-7-20(18)26-10-19(22)23(24)31/h4-11,14,30H,12H2,1-3H3,(H2,24,31)(H,26,27)/t14-/m1/s1
InChIKeyRNBUIIHDBIKSRP-CQSZACIVSA-N
XLogP3.10
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide with MolForge

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Related Compounds

6-bromo-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-7-fluoroquinoline-3-carboxamide
CID 130470742
1-(3-chloro-1-methylpyrazol-4-yl)-8-[6-(hydroxymethyl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619928
4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide
CID 155552713
7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide
CID 130470668
N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262871
7-fluoro-6-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-4-[1-(1-methylpyrazol-3-yl)ethylamino]quinoline-3-carboxamide
CID 130470512
7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470750
4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
CID 156547228
4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470612
2-[5-[3-chloro-4-[[(1R)-1-chloroethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 145244491
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
(2R)-N-hydroxy-4-[4-[6-(hydroxymethyl)-3-pyridinyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116706

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The IUPAC name of 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide (CID 130470728) is 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide is Cc1cn(C)nc1[C@@H](C)Nc1c(C(N)=O)cnc2ccc(-c3ccc(CO)nc3)cc12.
What is the InChIKey of 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The InChIKey is RNBUIIHDBIKSRP-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-13-11-29(3)28-21(13)14(2)27-22-18-8-15(16-4-6-17(12-30)25-9-16)5-7-20(18)26-10-19(22)23(24)31/h4-11,14,30H,12H2,1-3H3,(H2,24,31)(H,26,27)/t14-/m1/s1.
What are the key properties of 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide is sourced from PubChem (CID 130470728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).