5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

C22H23FN6O — CID 176570121

IUPAC5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-n1cc(-c2cncc(NC3CCC3)c2)nn1
InChIInChI=1S/C22H23FN6O/c1-13-7-19(23)18(22(30)26-16-5-6-16)9-21(13)29-12-20(27-28-29)14-8-17(11-24-10-14)25-15-3-2-4-15/h7-12,15-16,25H,2-6H2,1H3,(H,26,30)
InChIKeyPETOVQZSQVZVBU-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.63
Rot. Bonds6

About 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide (PubChem CID 176570121) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
PubChem CID176570121
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-n1cc(-c2cncc(NC3CCC3)c2)nn1
InChIInChI=1S/C22H23FN6O/c1-13-7-19(23)18(22(30)26-16-5-6-16)9-21(13)29-12-20(27-28-29)14-8-17(11-24-10-14)25-15-3-2-4-15/h7-12,15-16,25H,2-6H2,1H3,(H,26,30)
InChIKeyPETOVQZSQVZVBU-UHFFFAOYSA-N
XLogP3.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-fluoro-4-methyl-5-[4-[6-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]benzamide
CID 176570290
5-[4-[5-[[1-(cyanomethyl)-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 176570511
N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-4-methylbenzamide
CID 176570395
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570495
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[2-(oxetan-3-ylmethylamino)ethylamino]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570208
N-cyclopropyl-2-fluoro-5-[4-[7-methoxy-6-[4-[(2S)-2-methoxypropyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 176570448
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
CID 171906052
4-chloro-N-cyclopropyl-2-fluoro-5-[4-[5-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]benzamide
CID 176570337
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-(oxolan-3-ylamino)-3-pyridinyl]triazol-1-yl]benzamide
CID 53464532
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
N-ethyl-5-[4-[5-[[(3R)-1-ethyl-3-fluoropiperidin-4-yl]amino]-3-pyridinyl]pyrazol-1-yl]-2-fluoro-4-methylbenzamide
CID 176570500

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide (CID 176570121) is 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-n1cc(-c2cncc(NC3CCC3)c2)nn1.
What is the InChIKey of 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The InChIKey is PETOVQZSQVZVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13-7-19(23)18(22(30)26-16-5-6-16)9-21(13)29-12-20(27-28-29)14-8-17(11-24-10-14)25-15-3-2-4-15/h7-12,15-16,25H,2-6H2,1H3,(H,26,30).
What are the key properties of 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide has a molecular weight of 406.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(cyclobutylamino)-3-pyridinyl]triazol-1-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 176570121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).