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

C24H26FN7O2 — CID 163227667

IUPAC2-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
SMILESCc1cc(F)c(C(=O)Nc2ccn[nH]2)cc1-c1cnc(NC(C)(C)CO)c(-c2cnn(C)c2)c1
InChIInChI=1S/C24H26FN7O2/c1-14-7-20(25)19(23(34)29-21-5-6-27-31-21)9-17(14)15-8-18(16-11-28-32(4)12-16)22(26-10-15)30-24(2,3)13-33/h5-12,33H,13H2,1-4H3,(H,26,30)(H2,27,29,31,34)
InChIKeyPSUNCCZZRVORNT-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.75
Rot. Bonds7

About 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

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 (PubChem CID 163227667) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID163227667
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name2-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
SMILESCc1cc(F)c(C(=O)Nc2ccn[nH]2)cc1-c1cnc(NC(C)(C)CO)c(-c2cnn(C)c2)c1
InChIInChI=1S/C24H26FN7O2/c1-14-7-20(25)19(23(34)29-21-5-6-27-31-21)9-17(14)15-8-18(16-11-28-32(4)12-16)22(26-10-15)30-24(2,3)13-33/h5-12,33H,13H2,1-4H3,(H,26,30)(H2,27,29,31,34)
InChIKeyPSUNCCZZRVORNT-UHFFFAOYSA-N
XLogP3.75
TPSA120.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)c(C(=O)Nc2ccn[nH]2)cc1-c1cnc(NC(C)(C)CO)c(-c2cnn(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is PSUNCCZZRVORNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-14-7-20(25)19(23(34)29-21-5-6-27-31-21)9-17(14)15-8-18(16-11-28-32(4)12-16)22(26-10-15)30-24(2,3)13-33/h5-12,33H,13H2,1-4H3,(H,26,30)(H2,27,29,31,34).
What are the key properties of 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?
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 has a molecular weight of 463.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163227667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).