N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide

C22H23FN4O3 — CID 163227561

IUPACN-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnc(N[C@@H](C)CO)c(-c2cnco2)c1
InChIInChI=1S/C22H23FN4O3/c1-12-5-19(23)17(22(29)27-15-3-4-15)7-16(12)14-6-18(20-9-24-11-30-20)21(25-8-14)26-13(2)10-28/h5-9,11,13,15,28H,3-4,10H2,1-2H3,(H,25,26)(H,27,29)/t13-/m0/s1
InChIKeyOQYYVIOTLZGSTN-ZDUSSCGKSA-N
MW410.45 g/mol
LogP3.54
Rot. Bonds7

About N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide

N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide (PubChem CID 163227561) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide
PubChem CID163227561
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnc(N[C@@H](C)CO)c(-c2cnco2)c1
InChIInChI=1S/C22H23FN4O3/c1-12-5-19(23)17(22(29)27-15-3-4-15)7-16(12)14-6-18(20-9-24-11-30-20)21(25-8-14)26-13(2)10-28/h5-9,11,13,15,28H,3-4,10H2,1-2H3,(H,25,26)(H,27,29)/t13-/m0/s1
InChIKeyOQYYVIOTLZGSTN-ZDUSSCGKSA-N
XLogP3.54
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227738
N-cyclopropyl-2-fluoro-5-[6-[[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]amino]-5-[1-(trideuteriomethyl)pyrazol-4-yl]-3-pyridinyl]-4-methylbenzamide
CID 163227824
5-[5-cyano-6-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227747
N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722
N-cyclobutyl-2-fluoro-5-hydroxy-4-methylbenzamide
CID 171906052
N-cyclopropyl-4-fluoro-5-propan-2-ylpyridine-2-carboxamide
CID 166088364
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide
CID 163227567
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
CID 163227803
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
2-fluoro-5-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 163227667

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide (CID 163227561) is N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnc(N[C@@H](C)CO)c(-c2cnco2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is OQYYVIOTLZGSTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-12-5-19(23)17(22(29)27-15-3-4-15)7-16(12)14-6-18(20-9-24-11-30-20)21(25-8-14)26-13(2)10-28/h5-9,11,13,15,28H,3-4,10H2,1-2H3,(H,25,26)(H,27,29)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 410.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 163227561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).