1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C21H19ClN8 — CID 164520972

IUPAC1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(C)c2c(N)ncnc21
InChIInChI=1S/C21H19ClN8/c1-3-16(30-21-18(12(2)27-30)20(23)25-11-26-21)19-15-7-6-13(22)9-17(15)29(28-19)14-5-4-8-24-10-14/h4-11,16H,3H2,1-2H3,(H2,23,25,26)
InChIKeyYHRHHMKECWHDJH-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164520972) has the molecular formula C21H19ClN8 and a molecular weight of 418.89 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164520972
Molecular FormulaC21H19ClN8
Molecular Weight418.89 g/mol
Exact Mass418.14
IUPAC Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(C)c2c(N)ncnc21
InChIInChI=1S/C21H19ClN8/c1-3-16(30-21-18(12(2)27-30)20(23)25-11-26-21)19-15-7-6-13(22)9-17(15)29(28-19)14-5-4-8-24-10-14/h4-11,16H,3H2,1-2H3,(H2,23,25,26)
InChIKeyYHRHHMKECWHDJH-UHFFFAOYSA-N
XLogP4.10
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164520959
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177382843
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164520975
[3-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-chloroindazol-1-yl]phenyl]methanesulfonamide
CID 175736838
1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164520945
2,4-diamino-6-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propylamino]pyrimidine-5-carbonitrile
CID 155223185
N-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
CID 155223231
N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine
CID 147425633
3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one
CID 170551427
azane;5-iodo-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine;hydrate
CID 175842990
1-[1-[5-chloro-2-ethoxy-4-methyl-3-(1H-pyrazol-4-yl)phenyl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 172687091
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 141070390

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 164520972) is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(C)c2c(N)ncnc21.
What is the InChIKey of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YHRHHMKECWHDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN8/c1-3-16(30-21-18(12(2)27-30)20(23)25-11-26-21)19-15-7-6-13(22)9-17(15)29(28-19)14-5-4-8-24-10-14/h4-11,16H,3H2,1-2H3,(H2,23,25,26).
What are the key properties of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 418.89 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164520972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).