[4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid

C24H33FN4O5 — CID 118420181

IUPAC[4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2cc(NC(=O)O)ncc2F)ccc1OCC(C)(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H33FN4O5/c1-14(2)11-24(7,29-22(32)34-23(4,5)6)13-33-19-9-8-18(27-15(19)3)16-10-20(28-21(30)31)26-12-17(16)25/h8-10,12,14H,11,13H2,1-7H3,(H,26,28)(H,29,32)(H,30,31)
InChIKeyLZLCBTMRXWBRPM-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.39
Rot. Bonds8

About [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid

[4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid (PubChem CID 118420181) has the molecular formula C24H33FN4O5 and a molecular weight of 476.55 g/mol. Its IUPAC name is [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid
PubChem CID118420181
Molecular FormulaC24H33FN4O5
Molecular Weight476.55 g/mol
Exact Mass476.24
IUPAC Name[4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid
SMILESCc1nc(-c2cc(NC(=O)O)ncc2F)ccc1OCC(C)(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H33FN4O5/c1-14(2)11-24(7,29-22(32)34-23(4,5)6)13-33-19-9-8-18(27-15(19)3)16-10-20(28-21(30)31)26-12-17(16)25/h8-10,12,14H,11,13H2,1-7H3,(H,26,28)(H,29,32)(H,30,31)
InChIKeyLZLCBTMRXWBRPM-UHFFFAOYSA-N
XLogP5.39
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 137495428
(2S)-1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-N,2,4-trimethylpentan-2-amine;methyl N-[4-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamate
CID 158710575
[4-[4-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-3-(hydroxymethyl)phenyl]-2-pyridinyl]carbamic acid
CID 118420271
tert-butyl N-[1-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamate
CID 146320127
tert-butyl N-[1-(4-bromo-2-methylphenoxy)-2,4-dimethylpentan-2-yl]carbamate
CID 135390391
tert-butyl N-[1-[4-(6-acetamidopyrimidin-4-yl)-2-methylphenoxy]-2,4-dimethylpentan-2-yl]carbamate
CID 135390663
tert-butyl N-[(2S)-1-[[6-(6-isocyanopyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamate;(2S)-1-[[6-(6-isocyanopyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 158315907
(2S)-1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429797
N-[1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]methanimine
CID 123472685
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
tert-butyl N-[2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl]carbamate
CID 146320176
methyl N-[8-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530901

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid (CID 118420181) is [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid is Cc1nc(-c2cc(NC(=O)O)ncc2F)ccc1OCC(C)(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid?
The InChIKey is LZLCBTMRXWBRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O5/c1-14(2)11-24(7,29-22(32)34-23(4,5)6)13-33-19-9-8-18(27-15(19)3)16-10-20(28-21(30)31)26-12-17(16)25/h8-10,12,14H,11,13H2,1-7H3,(H,26,28)(H,29,32)(H,30,31).
What are the key properties of [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid?
[4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid has a molecular weight of 476.55 g/mol, XLogP of 5.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6-methyl-2-pyridinyl]-5-fluoro-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).