[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone

C25H26FN5O — CID 95813537

IUPAC[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
SMILESCN1CCCc2cc(C(=O)N3CCC[C@H]3c3ccc(Nc4ccc(F)cn4)cn3)ccc21
InChIInChI=1S/C25H26FN5O/c1-30-12-2-4-17-14-18(6-10-22(17)30)25(32)31-13-3-5-23(31)21-9-8-20(16-27-21)29-24-11-7-19(26)15-28-24/h6-11,14-16,23H,2-5,12-13H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeySYBLQANHKWMULW-QHCPKHFHSA-N
MW431.52 g/mol
LogP4.72
Rot. Bonds4

About [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone

[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone (PubChem CID 95813537) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
PubChem CID95813537
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
SMILESCN1CCCc2cc(C(=O)N3CCC[C@H]3c3ccc(Nc4ccc(F)cn4)cn3)ccc21
InChIInChI=1S/C25H26FN5O/c1-30-12-2-4-17-14-18(6-10-22(17)30)25(32)31-13-3-5-23(31)21-9-8-20(16-27-21)29-24-11-7-19(26)15-28-24/h6-11,14-16,23H,2-5,12-13H2,1H3,(H,28,29)/t23-/m0/s1
InChIKeySYBLQANHKWMULW-QHCPKHFHSA-N
XLogP4.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 42522581
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 95833927
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813369
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110267180
N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 95813512
(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95834175
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124958735
1-[(2S)-2-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95832776
2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 110114784

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone (CID 95813537) is [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone is CN1CCCc2cc(C(=O)N3CCC[C@H]3c3ccc(Nc4ccc(F)cn4)cn3)ccc21.
What is the InChIKey of [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
The InChIKey is SYBLQANHKWMULW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-30-12-2-4-17-14-18(6-10-22(17)30)25(32)31-13-3-5-23(31)21-9-8-20(16-27-21)29-24-11-7-19(26)15-28-24/h6-11,14-16,23H,2-5,12-13H2,1H3,(H,28,29)/t23-/m0/s1.
What are the key properties of [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone?
[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone has a molecular weight of 431.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone is sourced from PubChem (CID 95813537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).