2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol

C26H34FN5O3 — CID 177173267

IUPAC2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol
SMILESCOc1cc2nc(C3=CC=C(N4CCN(CCO)CC4)NC3)cc(N3CCC(CO)C3)c2cc1F
InChIInChI=1S/C26H34FN5O3/c1-35-25-14-23-20(12-21(25)27)24(32-5-4-18(16-32)17-34)13-22(29-23)19-2-3-26(28-15-19)31-8-6-30(7-9-31)10-11-33/h2-3,12-14,18,28,33-34H,4-11,15-17H2,1H3
InChIKeyGXPYXXBUEHRHFQ-UHFFFAOYSA-N
MW483.59 g/mol
LogP1.64
Rot. Bonds7

About 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol

2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol (PubChem CID 177173267) has the molecular formula C26H34FN5O3 and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol
PubChem CID177173267
Molecular FormulaC26H34FN5O3
Molecular Weight483.59 g/mol
Exact Mass483.26
IUPAC Name2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol
SMILESCOc1cc2nc(C3=CC=C(N4CCN(CCO)CC4)NC3)cc(N3CCC(CO)C3)c2cc1F
InChIInChI=1S/C26H34FN5O3/c1-35-25-14-23-20(12-21(25)27)24(32-5-4-18(16-32)17-34)13-22(29-23)19-2-3-26(28-15-19)31-8-6-30(7-9-31)10-11-33/h2-3,12-14,18,28,33-34H,4-11,15-17H2,1H3
InChIKeyGXPYXXBUEHRHFQ-UHFFFAOYSA-N
XLogP1.64
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[2-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174075
[1-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174104
2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane
CID 177173191
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
[1-(2-amino-5-ethoxy-4-fluorophenyl)pyrrolidin-3-yl]methanol
CID 112624054
N'-[5-[4-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-fluoro-7-methoxyquinolin-2-yl]-2-pyridinyl]-N,N'-dimethylethane-1,2-diamine
CID 177173749
tert-butyl 3-[[5-[4-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-fluoro-7-methoxyquinolin-2-yl]-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 177174210
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
(3aS,7aR)-2-[2-[4-(azetidin-3-yloxy)phenyl]-6-fluoro-7-methoxyquinolin-4-yl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 177173942
2-[4-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-fluoro-7-methoxyquinolin-2-yl]phenoxy]-N-methylethanamine;ethane;molecular hydrogen
CID 177173416
[1-[6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133348274

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol (CID 177173267) is 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol is COc1cc2nc(C3=CC=C(N4CCN(CCO)CC4)NC3)cc(N3CCC(CO)C3)c2cc1F.
What is the InChIKey of 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol?
The InChIKey is GXPYXXBUEHRHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O3/c1-35-25-14-23-20(12-21(25)27)24(32-5-4-18(16-32)17-34)13-22(29-23)19-2-3-26(28-15-19)31-8-6-30(7-9-31)10-11-33/h2-3,12-14,18,28,33-34H,4-11,15-17H2,1H3.
What are the key properties of 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol?
2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol has a molecular weight of 483.59 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 177173267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).