7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide

C23H24F2N6O2 — CID 130470750

IUPAC7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(NC(C)C4NN(C)C=C4F)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C23H24F2N6O2/c1-12(21-19(25)10-31(2)30-21)29-22-16-6-15(13-4-5-14(11-33-3)27-8-13)18(24)7-20(16)28-9-17(22)23(26)32/h4-10,12,21,30H,11H2,1-3H3,(H2,26,32)(H,28,29)
InChIKeyXUZDLHWOMPLRRQ-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.11
Rot. Bonds7

About 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide

7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide (PubChem CID 130470750) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
PubChem CID130470750
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(NC(C)C4NN(C)C=C4F)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C23H24F2N6O2/c1-12(21-19(25)10-31(2)30-21)29-22-16-6-15(13-4-5-14(11-33-3)27-8-13)18(24)7-20(16)28-9-17(22)23(26)32/h4-10,12,21,30H,11H2,1-3H3,(H2,26,32)(H,28,29)
InChIKeyXUZDLHWOMPLRRQ-UHFFFAOYSA-N
XLogP3.11
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470612
7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide
CID 130470668
7-fluoro-6-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-4-[1-(1-methylpyrazol-3-yl)ethylamino]quinoline-3-carboxamide
CID 130470512
4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470728
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-[(4-ethylpyrrolidin-3-yl)amino]-6-[6-[[(2-methoxyacetyl)amino]methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463827
8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648158
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
6-bromo-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-7-fluoroquinoline-3-carboxamide
CID 130470742
ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 130454047
[4-[4-(aminomethyl)anilino]-6-(3-chloro-5-fluoro-4-methylphenyl)-7-fluoroquinolin-3-yl]-cyclopropylmethanone
CID 118671277

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide (CID 130470750) is 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide is COCc1ccc(-c2cc3c(NC(C)C4NN(C)C=C4F)c(C(N)=O)cnc3cc2F)cn1.
What is the InChIKey of 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The InChIKey is XUZDLHWOMPLRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-12(21-19(25)10-31(2)30-21)29-22-16-6-15(13-4-5-14(11-33-3)27-8-13)18(24)7-20(16)28-9-17(22)23(26)32/h4-10,12,21,30H,11H2,1-3H3,(H2,26,32)(H,28,29).
What are the key properties of 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide is sourced from PubChem (CID 130470750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).