1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide

C19H22FN3O4 — CID 151003431

IUPAC1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
SMILESCOc1cc2c(OC[C@H]3NC(O)[C@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O
InChIInChI=1S/C19H22FN3O4/c1-26-14-7-11-10(6-12(14)17(21)24)4-5-22-19(11)27-8-13-15(9-2-3-9)16(20)18(25)23-13/h4-7,9,13,15-16,18,23,25H,2-3,8H2,1H3,(H2,21,24)/t13-,15+,16-,18?/m1/s1
InChIKeyLUOWXXNXUIJKLT-ADEQIPLCSA-N
MW375.40 g/mol
LogP1.38
Rot. Bonds6

About 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide

1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide (PubChem CID 151003431) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
PubChem CID151003431
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
SMILESCOc1cc2c(OC[C@H]3NC(O)[C@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O
InChIInChI=1S/C19H22FN3O4/c1-26-14-7-11-10(6-12(14)17(21)24)4-5-22-19(11)27-8-13-15(9-2-3-9)16(20)18(25)23-13/h4-7,9,13,15-16,18,23,25H,2-3,8H2,1H3,(H2,21,24)/t13-,15+,16-,18?/m1/s1
InChIKeyLUOWXXNXUIJKLT-ADEQIPLCSA-N
XLogP1.38
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide with MolForge

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Related Compounds

1-[[(1S,2S,5R,6S)-6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118424430
1-[[(1S,2S,5R)-3-azabicyclo[3.2.0]heptan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972491
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589
7-methoxy-1-[[(1S,2S,5R)-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414309
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414016
1-[[(2S,3R,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414556
1-[[(1R,2S,5R,6R)-6-(2-fluoroethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 139462622
1-[[6-(difluoromethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972396
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733
7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414586
1-[[(4R,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 126622186
1-[[(2S,3R,4R)-4-amino-3-ethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414818

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide (CID 151003431) is 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide is COc1cc2c(OC[C@H]3NC(O)[C@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide?
The InChIKey is LUOWXXNXUIJKLT-ADEQIPLCSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-26-14-7-11-10(6-12(14)17(21)24)4-5-22-19(11)27-8-13-15(9-2-3-9)16(20)18(25)23-13/h4-7,9,13,15-16,18,23,25H,2-3,8H2,1H3,(H2,21,24)/t13-,15+,16-,18?/m1/s1.
What are the key properties of 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide?
1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3S,4R)-3-cyclopropyl-4-fluoro-5-hydroxypyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide is sourced from PubChem (CID 151003431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).