3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide

C24H26N6O2 — CID 123346436

IUPAC3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide
SMILESCNC(=O)c1ccc(C(C)CNc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)c1
InChIInChI=1S/C24H26N6O2/c1-15(19-7-5-17(24(31)25-2)10-22(19)32-4)12-26-23-11-20(27-14-28-23)16-6-8-21-18(9-16)13-29-30(21)3/h5-11,13-15H,12H2,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyNIIXCUYMGNVIOR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.61
Rot. Bonds7

About 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide

3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide (PubChem CID 123346436) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide
PubChem CID123346436
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide
SMILESCNC(=O)c1ccc(C(C)CNc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)c1
InChIInChI=1S/C24H26N6O2/c1-15(19-7-5-17(24(31)25-2)10-22(19)32-4)12-26-23-11-20(27-14-28-23)16-6-8-21-18(9-16)13-29-30(21)3/h5-11,13-15H,12H2,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyNIIXCUYMGNVIOR-UHFFFAOYSA-N
XLogP3.61
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 118982548
4-[(2S)-1-[[6-[4-(aminomethyl)phenyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide;sulfane
CID 158374301
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 158126980
4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 118982553
3-methoxy-4-[(2S)-1-[[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylbenzamide;sulfane
CID 157431990
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 162221613
4-[(2S)-1-[[6-(1-hydroxy-2,3-dihydro-1H-isoindol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 134289095
3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide
CID 73214082
4-[1-[[6-[5-methanimidoyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 144832100
3-methoxy-N-methyl-4-[(2S)-1-[[6-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 160635124
N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
CID 73214502
4-[(3S)-5-[[6-[6-(azetidin-1-yl)-3-pyridinyl]pyrimidin-4-yl]amino]-3,4-dimethylpentan-2-yl]-3-methoxy-N-methylbenzamide
CID 163547170

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide (CID 123346436) is 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide is CNC(=O)c1ccc(C(C)CNc2cc(-c3ccc4c(cnn4C)c3)ncn2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide?
The InChIKey is NIIXCUYMGNVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15(19-7-5-17(24(31)25-2)10-22(19)32-4)12-26-23-11-20(27-14-28-23)16-6-8-21-18(9-16)13-29-30(21)3/h5-11,13-15H,12H2,1-4H3,(H,25,31)(H,26,27,28).
What are the key properties of 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide?
3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[1-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 123346436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).