N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide

C20H21FN4O6 — CID 170692096

IUPACN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F
InChIInChI=1S/C20H21FN4O6/c21-12-8-25(19-17(29)16(28)14(9-26)31-19)20(30)24-18(12)23-15(27)6-5-10-7-22-13-4-2-1-3-11(10)13/h1-4,7-8,14,16-17,19,22,26,28-29H,5-6,9H2,(H,23,24,27,30)/t14-,16-,17-,19-/m1/s1
InChIKeyCKPQNKSPWCMLOD-KLICCBINSA-N
MW432.41 g/mol
LogP0.05
Rot. Bonds6

About N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide

N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 170692096) has the molecular formula C20H21FN4O6 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID170692096
Molecular FormulaC20H21FN4O6
Molecular Weight432.41 g/mol
Exact Mass432.14
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F
InChIInChI=1S/C20H21FN4O6/c21-12-8-25(19-17(29)16(28)14(9-26)31-19)20(30)24-18(12)23-15(27)6-5-10-7-22-13-4-2-1-3-11(10)13/h1-4,7-8,14,16-17,19,22,26,28-29H,5-6,9H2,(H,23,24,27,30)/t14-,16-,17-,19-/m1/s1
InChIKeyCKPQNKSPWCMLOD-KLICCBINSA-N
XLogP0.05
TPSA149.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide with MolForge

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Related Compounds

prop-2-enyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 101160207
heptyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 142653377
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
(2R,3R,4S,5R)-2-[6-amino-2-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15036665
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[3-(1H-indol-3-yl)propanoyl]sulfamate
CID 140848353
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19407183
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,3,3-trifluoropropanamide
CID 170902536
3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
CID 144823536
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 101114239
N-[1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octanamide
CID 46832253
N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]nonadecanamide
CID 12851376
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide (CID 170692096) is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F.
What is the InChIKey of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is CKPQNKSPWCMLOD-KLICCBINSA-N. The full InChI is InChI=1S/C20H21FN4O6/c21-12-8-25(19-17(29)16(28)14(9-26)31-19)20(30)24-18(12)23-15(27)6-5-10-7-22-13-4-2-1-3-11(10)13/h1-4,7-8,14,16-17,19,22,26,28-29H,5-6,9H2,(H,23,24,27,30)/t14-,16-,17-,19-/m1/s1.
What are the key properties of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide?
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 432.41 g/mol, XLogP of 0.05, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 170692096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).