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

C24H28FN5O2 — CID 163227824

IUPACN-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
SMILES[2H]C([2H])([2H])n1cc(-c2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cnc2NC(CO)(C([2H])([2H])[2H])C([2H])([2H])[2H])cn1
InChIInChI=1S/C24H28FN5O2/c1-14-7-21(25)20(23(32)28-17-5-6-17)9-18(14)15-8-19(16-11-27-30(4)12-16)22(26-10-15)29-24(2,3)13-31/h7-12,17,31H,5-6,13H2,1-4H3,(H,26,29)(H,28,32)/i2D3,3D3,4D3
InChIKeyNLSBPMGZQMTSOL-WVZRYRIDSA-N
MW446.57 g/mol
LogP3.67
Rot. Bonds10

About 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

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 (PubChem CID 163227824) has the molecular formula C24H28FN5O2 and a molecular weight of 446.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID163227824
Molecular FormulaC24H28FN5O2
Molecular Weight446.57 g/mol
Exact Mass446.28
IUPAC NameN-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
SMILES[2H]C([2H])([2H])n1cc(-c2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cnc2NC(CO)(C([2H])([2H])[2H])C([2H])([2H])[2H])cn1
InChIInChI=1S/C24H28FN5O2/c1-14-7-21(25)20(23(32)28-17-5-6-17)9-18(14)15-8-19(16-11-27-30(4)12-16)22(26-10-15)29-24(2,3)13-31/h7-12,17,31H,5-6,13H2,1-4H3,(H,26,29)(H,28,32)/i2D3,3D3,4D3
InChIKeyNLSBPMGZQMTSOL-WVZRYRIDSA-N
XLogP3.67
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722
N-cyclopropyl-2-fluoro-5-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-5-(1,3-oxazol-5-yl)-3-pyridinyl]-4-methylbenzamide
CID 163227561
5-[5-cyano-6-[[(2R)-2-hydroxybutyl]amino]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227738
5-[5-cyano-6-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyridinyl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 163227747
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
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(methylamino)-3-pyridinyl]-4-methylbenzamide
CID 163227607
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
N-cyclopropyl-5-[1-[5-[(3,3-difluoropiperidin-4-yl)methyl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 161138760
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 163227753

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])n1cc(-c2cc(-c3cc(C(=O)NC4CC4)c(F)cc3C)cnc2NC(CO)(C([2H])([2H])[2H])C([2H])([2H])[2H])cn1.
What is the InChIKey of 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?
The InChIKey is NLSBPMGZQMTSOL-WVZRYRIDSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-14-7-21(25)20(23(32)28-17-5-6-17)9-18(14)15-8-19(16-11-27-30(4)12-16)22(26-10-15)29-24(2,3)13-31/h7-12,17,31H,5-6,13H2,1-4H3,(H,26,29)(H,28,32)/i2D3,3D3,4D3.
What are the key properties of 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?
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 has a molecular weight of 446.57 g/mol, XLogP of 3.67, 10 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-[[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]amino]-5-[1-(trideuteriomethyl)pyrazol-4-yl]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 163227824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).