tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate

C20H23FN4O3 — CID 146488208

IUPACtert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CC2)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)nnc12
InChIInChI=1S/C20H23FN4O3/c1-20(2,3)28-19(27)22-15-7-11(10-4-5-10)6-12-8-16(24-25-17(12)15)23-18(26)13-9-14(13)21/h6-8,10,13-14H,4-5,9H2,1-3H3,(H,22,27)(H,23,24,26)/t13-,14+/m1/s1
InChIKeyZHKFGMOBBBBEOK-KGLIPLIRSA-N
MW386.43 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate

tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate (PubChem CID 146488208) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate
PubChem CID146488208
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nametert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CC2)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)nnc12
InChIInChI=1S/C20H23FN4O3/c1-20(2,3)28-19(27)22-15-7-11(10-4-5-10)6-12-8-16(24-25-17(12)15)23-18(26)13-9-14(13)21/h6-8,10,13-14H,4-5,9H2,1-3H3,(H,22,27)(H,23,24,26)/t13-,14+/m1/s1
InChIKeyZHKFGMOBBBBEOK-KGLIPLIRSA-N
XLogP4.15
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate with MolForge

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Related Compounds

[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid
CID 146469805
cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 146488508
tert-butyl N-[3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-8-yl]carbamate
CID 135343211
tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
CID 117116565
tert-butyl N-[5-[1-amino-6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]carbamate
CID 139468624
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
CID 90960498
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472
cis-(1S,2S)-N-[8-amino-6-(3-methyl-4-pyridinyl)cinnolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 146488505
tert-butyl N-(3-amino-6-chloro-1,2,4-benzotriazin-8-yl)carbamate
CID 164897937
tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
CID 165131798
tert-butyl N-(4-cyclopropyl-2-phenacylphenyl)carbamate
CID 131731722
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
CID 145262519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate?
The IUPAC name of tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate (CID 146488208) is tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(C2CC2)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)nnc12.
What is the InChIKey of tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate?
The InChIKey is ZHKFGMOBBBBEOK-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-20(2,3)28-19(27)22-15-7-11(10-4-5-10)6-12-8-16(24-25-17(12)15)23-18(26)13-9-14(13)21/h6-8,10,13-14H,4-5,9H2,1-3H3,(H,22,27)(H,23,24,26)/t13-,14+/m1/s1.
What are the key properties of tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate?
tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate has a molecular weight of 386.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate is sourced from PubChem (CID 146488208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).