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

C24H24ClN7O2 — CID 59291153

IUPAC1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)N(C(=O)CN(C)C)CC2
InChIInChI=1S/C24H24ClN7O2/c1-30(2)14-22(33)31-9-7-15-10-21(34-3)18(11-20(15)31)28-24-26-13-17(25)23(29-24)16-12-27-32-8-5-4-6-19(16)32/h4-6,8,10-13H,7,9,14H2,1-3H3,(H,26,28,29)
InChIKeyLMEORZFGBDNVFN-UHFFFAOYSA-N
MW477.96 g/mol
LogP3.65
Rot. Bonds6

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

1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone (PubChem CID 59291153) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone
PubChem CID59291153
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)N(C(=O)CN(C)C)CC2
InChIInChI=1S/C24H24ClN7O2/c1-30(2)14-22(33)31-9-7-15-10-21(34-3)18(11-20(15)31)28-24-26-13-17(25)23(29-24)16-12-27-32-8-5-4-6-19(16)32/h4-6,8,10-13H,7,9,14H2,1-3H3,(H,26,28,29)
InChIKeyLMEORZFGBDNVFN-UHFFFAOYSA-N
XLogP3.65
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone (CID 59291153) is 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone is COc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)N(C(=O)CN(C)C)CC2.
What is the InChIKey of 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is LMEORZFGBDNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-30(2)14-22(33)31-9-7-15-10-21(34-3)18(11-20(15)31)28-24-26-13-17(25)23(29-24)16-12-27-32-8-5-4-6-19(16)32/h4-6,8,10-13H,7,9,14H2,1-3H3,(H,26,28,29).
What are the key properties of 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone?
1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 477.96 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 59291153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).