2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone

C25H27N7O2 — CID 67380534

IUPAC2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc2c(cc1Nc1ncc(C)c(-c3cnn4ccccc34)n1)N(C(=O)CN(C)C)CC2
InChIInChI=1S/C25H27N7O2/c1-16-13-26-25(29-24(16)18-14-27-32-9-6-5-7-20(18)32)28-19-12-21-17(11-22(19)34-4)8-10-31(21)23(33)15-30(2)3/h5-7,9,11-14H,8,10,15H2,1-4H3,(H,26,28,29)
InChIKeyMKDRQNGAEHRICE-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.30
Rot. Bonds6

About 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone

2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 67380534) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID67380534
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc2c(cc1Nc1ncc(C)c(-c3cnn4ccccc34)n1)N(C(=O)CN(C)C)CC2
InChIInChI=1S/C25H27N7O2/c1-16-13-26-25(29-24(16)18-14-27-32-9-6-5-7-20(18)32)28-19-12-21-17(11-22(19)34-4)8-10-31(21)23(33)15-30(2)3/h5-7,9,11-14H,8,10,15H2,1-4H3,(H,26,28,29)
InChIKeyMKDRQNGAEHRICE-UHFFFAOYSA-N
XLogP3.30
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone (CID 67380534) is 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone is COc1cc2c(cc1Nc1ncc(C)c(-c3cnn4ccccc34)n1)N(C(=O)CN(C)C)CC2.
What is the InChIKey of 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MKDRQNGAEHRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-16-13-26-25(29-24(16)18-14-27-32-9-6-5-7-20(18)32)28-19-12-21-17(11-22(19)34-4)8-10-31(21)23(33)15-30(2)3/h5-7,9,11-14H,8,10,15H2,1-4H3,(H,26,28,29).
What are the key properties of 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 457.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-methoxy-6-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 67380534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).