7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide

C22H21FN6O2 — CID 130470668

IUPAC7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(NC(C)c4ccn[nH]4)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C22H21FN6O2/c1-12(19-5-6-27-29-19)28-21-16-7-15(13-3-4-14(11-31-2)25-9-13)18(23)8-20(16)26-10-17(21)22(24)30/h3-10,12H,11H2,1-2H3,(H2,24,30)(H,26,28)(H,27,29)
InChIKeyPBHVFHYSGPKQKU-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.58
Rot. Bonds7

About 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide

7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide (PubChem CID 130470668) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide
PubChem CID130470668
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide
SMILESCOCc1ccc(-c2cc3c(NC(C)c4ccn[nH]4)c(C(N)=O)cnc3cc2F)cn1
InChIInChI=1S/C22H21FN6O2/c1-12(19-5-6-27-29-19)28-21-16-7-15(13-3-4-14(11-31-2)25-9-13)18(23)8-20(16)26-10-17(21)22(24)30/h3-10,12H,11H2,1-2H3,(H2,24,30)(H,26,28)(H,27,29)
InChIKeyPBHVFHYSGPKQKU-UHFFFAOYSA-N
XLogP3.58
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide with MolForge

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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
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-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-4-[1-(1-methylpyrazol-3-yl)ethylamino]quinoline-3-carboxamide
CID 130470512
7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 155897183
4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470728
7-iodo-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 171147857
4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid
CID 63743971
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
6-bromo-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-7-fluoroquinoline-3-carboxamide
CID 130470742
2-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenoxy]acetamide
CID 54881785
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
3,4-dimethoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881496

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide (CID 130470668) is 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide is COCc1ccc(-c2cc3c(NC(C)c4ccn[nH]4)c(C(N)=O)cnc3cc2F)cn1.
What is the InChIKey of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide?
The InChIKey is PBHVFHYSGPKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-12(19-5-6-27-29-19)28-21-16-7-15(13-3-4-14(11-31-2)25-9-13)18(23)8-20(16)26-10-17(21)22(24)30/h3-10,12H,11H2,1-2H3,(H2,24,30)(H,26,28)(H,27,29).
What are the key properties of 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide?
7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-4-[1-(1H-pyrazol-5-yl)ethylamino]quinoline-3-carboxamide is sourced from PubChem (CID 130470668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).