tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate

C18H24FN5O3 — CID 129052316

IUPACtert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate
SMILESCc1c(C(=O)NCc2ncccc2F)ncn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H24FN5O3/c1-12-15(16(25)22-10-14-13(19)6-5-7-20-14)23-11-24(12)9-8-21-17(26)27-18(2,3)4/h5-7,11H,8-10H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyUXSYKFJRXQUZGW-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.18
Rot. Bonds6

About tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate (PubChem CID 129052316) has the molecular formula C18H24FN5O3 and a molecular weight of 377.42 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate
PubChem CID129052316
Molecular FormulaC18H24FN5O3
Molecular Weight377.42 g/mol
Exact Mass377.19
IUPAC Nametert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate
SMILESCc1c(C(=O)NCc2ncccc2F)ncn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H24FN5O3/c1-12-15(16(25)22-10-14-13(19)6-5-7-20-14)23-11-24(12)9-8-21-17(26)27-18(2,3)4/h5-7,11H,8-10H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyUXSYKFJRXQUZGW-UHFFFAOYSA-N
XLogP2.18
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
CID 23562613
tert-butyl N-[2-[4-[1-[(3-methyl-2-pyridinyl)methylamino]ethenyl]-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
CID 129067334
tert-butyl 3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 129067461
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate (CID 129052316) is tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate is Cc1c(C(=O)NCc2ncccc2F)ncn1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate?
The InChIKey is UXSYKFJRXQUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O3/c1-12-15(16(25)22-10-14-13(19)6-5-7-20-14)23-11-24(12)9-8-21-17(26)27-18(2,3)4/h5-7,11H,8-10H2,1-4H3,(H,21,26)(H,22,25).
What are the key properties of tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate has a molecular weight of 377.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 129052316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).