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

C23H25FN6O2 — CID 130470612

IUPAC4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(NCC4NN(C)C=C4C)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C23H25FN6O2/c1-13-11-30(2)29-21(13)10-28-22-17-6-16(14-4-5-15(12-32-3)26-8-14)19(24)7-20(17)27-9-18(22)23(25)31/h4-9,11,21,29H,10,12H2,1-3H3,(H2,25,31)(H,27,28)
InChIKeyFPANJLSDPNCVGK-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.82
Rot. Bonds7

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

4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide (PubChem CID 130470612) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
PubChem CID130470612
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(NCC4NN(C)C=C4C)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C23H25FN6O2/c1-13-11-30(2)29-21(13)10-28-22-17-6-16(14-4-5-15(12-32-3)26-8-14)19(24)7-20(17)27-9-18(22)23(25)31/h4-9,11,21,29H,10,12H2,1-3H3,(H2,25,31)(H,27,28)
InChIKeyFPANJLSDPNCVGK-UHFFFAOYSA-N
XLogP2.82
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-fluoro-4-[1-(4-fluoro-2-methyl-1,5-dihydropyrazol-5-yl)ethylamino]-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470750
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
ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 130454047
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470728
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
6-bromo-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-7-fluoroquinoline-3-carboxamide
CID 130470742
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
[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 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The IUPAC name of 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide (CID 130470612) is 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The canonical SMILES for 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide is COCc1ccc(-c2cc3c(NCC4NN(C)C=C4C)c(C(N)=O)cnc3cc2F)cn1.
What is the InChIKey of 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The InChIKey is FPANJLSDPNCVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-13-11-30(2)29-21(13)10-28-22-17-6-16(14-4-5-15(12-32-3)26-8-14)19(24)7-20(17)27-9-18(22)23(25)31/h4-9,11,21,29H,10,12H2,1-3H3,(H2,25,31)(H,27,28).
What are the key properties of 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,5-dihydropyrazol-5-yl)methylamino]-7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide is sourced from PubChem (CID 130470612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).