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

C22H19ClN6O2 — CID 59291192

IUPAC1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)N(C(C)=O)CC2
InChIInChI=1S/C22H19ClN6O2/c1-13(30)28-8-6-14-9-20(31-2)17(10-19(14)28)26-22-24-12-16(23)21(27-22)15-11-25-29-7-4-3-5-18(15)29/h3-5,7,9-12H,6,8H2,1-2H3,(H,24,26,27)
InChIKeyXLFYLRDQSXIJLC-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.11
Rot. Bonds4

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

1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone (PubChem CID 59291192) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 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]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]ethanone
PubChem CID59291192
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)N(C(C)=O)CC2
InChIInChI=1S/C22H19ClN6O2/c1-13(30)28-8-6-14-9-20(31-2)17(10-19(14)28)26-22-24-12-16(23)21(27-22)15-11-25-29-7-4-3-5-18(15)29/h3-5,7,9-12H,6,8H2,1-2H3,(H,24,26,27)
InChIKeyXLFYLRDQSXIJLC-UHFFFAOYSA-N
XLogP4.11
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]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]ethanone (CID 59291192) is 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]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]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]ethanone is COc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)N(C(C)=O)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]ethanone?
The InChIKey is XLFYLRDQSXIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-13(30)28-8-6-14-9-20(31-2)17(10-19(14)28)26-22-24-12-16(23)21(27-22)15-11-25-29-7-4-3-5-18(15)29/h3-5,7,9-12H,6,8H2,1-2H3,(H,24,26,27).
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]ethanone?
1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 434.89 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]ethanone is sourced from PubChem (CID 59291192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).