4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C21H23ClN6O2 — CID 146998661

IUPAC4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCCN2CCOCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C21H23ClN6O2/c1-27-17-12-15(25-20-19-14(13-24-20)3-2-4-23-19)11-16(22)18(17)21(26-27)30-10-7-28-5-8-29-9-6-28/h2-4,11-12H,5-10,13H2,1H3,(H,24,25)
InChIKeyARPKKEPPDRDHOI-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.70
Rot. Bonds5

About 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 146998661) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID146998661
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCCN2CCOCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C21H23ClN6O2/c1-27-17-12-15(25-20-19-14(13-24-20)3-2-4-23-19)11-16(22)18(17)21(26-27)30-10-7-28-5-8-29-9-6-28/h2-4,11-12H,5-10,13H2,1H3,(H,24,25)
InChIKeyARPKKEPPDRDHOI-UHFFFAOYSA-N
XLogP2.70
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192157
6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
CID 134192160
N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192162
N-[1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192165
3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 148654645
3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 149519095
3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 152793790
1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine
CID 152886239
3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 157094776
3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 159730992
4-[2-[[2-(4-Chlorophenyl)-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-yl]oxy]ethyl]morpholine
CID 25187861
N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192012

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 146998661) is 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OCCN2CCOCC2)c2c(Cl)cc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is ARPKKEPPDRDHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-27-17-12-15(25-20-19-14(13-24-20)3-2-4-23-19)11-16(22)18(17)21(26-27)30-10-7-28-5-8-29-9-6-28/h2-4,11-12H,5-10,13H2,1H3,(H,24,25).
What are the key properties of 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 426.91 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 146998661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).