[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid

C21H18FN5O3 — CID 146469805

IUPAC[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid
SMILESO=C(O)Nc1cc(-c2cnccc2C2CC2)cc2cc(NC(=O)C3CC3F)nnc12
InChIInChI=1S/C21H18FN5O3/c22-16-8-14(16)20(28)25-18-7-12-5-11(6-17(24-21(29)30)19(12)27-26-18)15-9-23-4-3-13(15)10-1-2-10/h3-7,9-10,14,16,24H,1-2,8H2,(H,29,30)(H,25,26,28)
InChIKeyHCSZVRPSCMLOJA-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.96
Rot. Bonds5

About [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid

[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid (PubChem CID 146469805) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid.

Molecular Properties

Compound Name[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid
PubChem CID146469805
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid
SMILESO=C(O)Nc1cc(-c2cnccc2C2CC2)cc2cc(NC(=O)C3CC3F)nnc12
InChIInChI=1S/C21H18FN5O3/c22-16-8-14(16)20(28)25-18-7-12-5-11(6-17(24-21(29)30)19(12)27-26-18)15-9-23-4-3-13(15)10-1-2-10/h3-7,9-10,14,16,24H,1-2,8H2,(H,29,30)(H,25,26,28)
InChIKeyHCSZVRPSCMLOJA-UHFFFAOYSA-N
XLogP3.96
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-N-[8-amino-6-(3-methyl-4-pyridinyl)cinnolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 146488505
[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid
CID 146469847
N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide
CID 146488461
cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate
CID 146488208
cis-(1S,2S)-N-[8-chloro-6-(3-methyl-4-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 140921567
cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 146488508
N-[1-ethyl-3-(4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 166123847
cis-(1S,2S)-N-(8-amino-6-pyridin-3-ylisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135343190
cis-(1R,2R)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138513826
N-[2-(4-cyclopropyloxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252255
cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide
CID 138504770

Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid?
The IUPAC name of [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid (CID 146469805) is [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid.
What is the SMILES notation for [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid?
The canonical SMILES for [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid is O=C(O)Nc1cc(-c2cnccc2C2CC2)cc2cc(NC(=O)C3CC3F)nnc12.
What is the InChIKey of [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid?
The InChIKey is HCSZVRPSCMLOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c22-16-8-14(16)20(28)25-18-7-12-5-11(6-17(24-21(29)30)19(12)27-26-18)15-9-23-4-3-13(15)10-1-2-10/h3-7,9-10,14,16,24H,1-2,8H2,(H,29,30)(H,25,26,28).
What are the key properties of [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid?
[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid has a molecular weight of 407.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid is sourced from PubChem (CID 146469805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).