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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine

C43H39Cl2N13O3 — CID 68618902

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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
SMILESCNCC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)cc21.COc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)NCC2
InChIInChI=1S/C23H22ClN7O2.C20H17ClN6O/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;1-28-18-8-12-5-6-22-15(12)9-16(18)25-20-23-11-14(21)19(26-20)13-10-24-27-7-3-2-4-17(13)27/h3-5,7,9-12,25H,6,8,13H2,1-2H3,(H,26,28,29);2-4,7-11,22H,5-6H2,1H3,(H,23,25,26)
InChIKeyOAEOPEBZJOQSRQ-UHFFFAOYSA-N
MW856.78 g/mol
LogP7.47
Rot. Bonds10

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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine

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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine (PubChem CID 68618902) has the molecular formula C43H39Cl2N13O3 and a molecular weight of 856.78 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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine.

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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
PubChem CID68618902
Molecular FormulaC43H39Cl2N13O3
Molecular Weight856.78 g/mol
Exact Mass855.27
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine
SMILESCNCC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)cc21.COc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)NCC2
InChIInChI=1S/C23H22ClN7O2.C20H17ClN6O/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;1-28-18-8-12-5-6-22-15(12)9-16(18)25-20-23-11-14(21)19(26-20)13-10-24-27-7-3-2-4-17(13)27/h3-5,7,9-12,25H,6,8,13H2,1-2H3,(H,26,28,29);2-4,7-11,22H,5-6H2,1H3,(H,23,25,26)
InChIKeyOAEOPEBZJOQSRQ-UHFFFAOYSA-N
XLogP7.47
TPSA173.05 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500856.78
LogP ≤ 57.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine 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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine (CID 68618902) 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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine.
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine is CNCC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)cc21.COc1cc2c(cc1Nc1ncc(Cl)c(-c3cnn4ccccc34)n1)NCC2.
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
The InChIKey is OAEOPEBZJOQSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2.C20H17ClN6O/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;1-28-18-8-12-5-6-22-15(12)9-16(18)25-20-23-11-14(21)19(26-20)13-10-24-27-7-3-2-4-17(13)27/h3-5,7,9-12,25H,6,8,13H2,1-2H3,(H,26,28,29);2-4,7-11,22H,5-6H2,1H3,(H,23,25,26).
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine?
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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine has a molecular weight of 856.78 g/mol, XLogP of 7.47, 10 rotatable bonds, 4 hydrogen bond donors, and 15 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;N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-2,3-dihydro-1H-indol-6-amine is sourced from PubChem (CID 68618902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).