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

C23H22ClN7O2 — CID 59291063

IUPAC1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)cc21
InChIInChI=1S/C23H22ClN7O2/c1-25-13-21(32)30-8-6-14-9-20(33-2)17(10-19(14)30)28-23-26-12-16(24)22(29-23)15-11-27-31-7-4-3-5-18(15)31/h3-5,7,9-12,25H,6,8,13H2,1-2H3,(H,26,28,29)
InChIKeyCNTOPUICLRNPNS-UHFFFAOYSA-N
MW463.93 g/mol
LogP3.31
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-(methylamino)ethanone

1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone (PubChem CID 59291063) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 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-(methylamino)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-(methylamino)ethanone
PubChem CID59291063
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Name1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)cc21
InChIInChI=1S/C23H22ClN7O2/c1-25-13-21(32)30-8-6-14-9-20(33-2)17(10-19(14)30)28-23-26-12-16(24)22(29-23)15-11-27-31-7-4-3-5-18(15)31/h3-5,7,9-12,25H,6,8,13H2,1-2H3,(H,26,28,29)
InChIKeyCNTOPUICLRNPNS-UHFFFAOYSA-N
XLogP3.31
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.31
H-Bond Donors ≤ 52
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-(methylamino)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-(methylamino)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-(methylamino)ethanone (CID 59291063) is 1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)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-(methylamino)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-(methylamino)ethanone is CNCC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)cc21.
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-(methylamino)ethanone?
The InChIKey is CNTOPUICLRNPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-25-13-21(32)30-8-6-14-9-20(33-2)17(10-19(14)30)28-23-26-12-16(24)22(29-23)15-11-27-31-7-4-3-5-18(15)31/h3-5,7,9-12,25H,6,8,13H2,1-2H3,(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-(methylamino)ethanone?
1-[6-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone has a molecular weight of 463.93 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 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-(methylamino)ethanone is sourced from PubChem (CID 59291063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).