N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide

C22H20FN5O2 — CID 145161792

IUPACN-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ncccc1F)c1c(C)cnc2cc(OC)c(-c3cn[nH]c3)cc12
InChIInChI=1S/C22H20FN5O2/c1-4-20(29)28(22-17(23)6-5-7-24-22)21-13(2)10-25-18-9-19(30-3)15(8-16(18)21)14-11-26-27-12-14/h5-12H,4H2,1-3H3,(H,26,27)
InChIKeyLCAZMXLTUCWWPX-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.55
Rot. Bonds5

About N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide

N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide (PubChem CID 145161792) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide
PubChem CID145161792
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ncccc1F)c1c(C)cnc2cc(OC)c(-c3cn[nH]c3)cc12
InChIInChI=1S/C22H20FN5O2/c1-4-20(29)28(22-17(23)6-5-7-24-22)21-13(2)10-25-18-9-19(30-3)15(8-16(18)21)14-11-26-27-12-14/h5-12H,4H2,1-3H3,(H,26,27)
InChIKeyLCAZMXLTUCWWPX-UHFFFAOYSA-N
XLogP4.55
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167
(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11211551
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044767
1-[(2-fluoro-6-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044798
1-[(4-fluoro-2-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044819
1-[3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 92044821
1-[(2-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044826
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044906
US10457677, Example 114
CID 122589327
US10457677, Example 33
CID 122589364
US10457677, Example 119
CID 122589374
US10457677, Example 36
CID 122589382

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide (CID 145161792) is N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide is CCC(=O)N(c1ncccc1F)c1c(C)cnc2cc(OC)c(-c3cn[nH]c3)cc12.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide?
The InChIKey is LCAZMXLTUCWWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-4-20(29)28(22-17(23)6-5-7-24-22)21-13(2)10-25-18-9-19(30-3)15(8-16(18)21)14-11-26-27-12-14/h5-12H,4H2,1-3H3,(H,26,27).
What are the key properties of N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide?
N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide has a molecular weight of 405.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-N-[7-methoxy-3-methyl-6-(1H-pyrazol-4-yl)quinolin-4-yl]propanamide is sourced from PubChem (CID 145161792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).