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

C24H21ClN10 — CID 164520959

IUPAC1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21
InChIInChI=1S/C24H21ClN10/c1-3-18(22-17-7-6-15(25)9-19(17)34(32-22)16-5-4-8-27-11-16)35-24-20(23(26)28-13-29-24)21(31-35)14-10-30-33(2)12-14/h4-13,18H,3H2,1-2H3,(H2,26,28,29)
InChIKeyYZMZXFUBZXRYHX-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.20
Rot. Bonds5

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

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164520959) has the molecular formula C24H21ClN10 and a molecular weight of 484.96 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164520959
Molecular FormulaC24H21ClN10
Molecular Weight484.96 g/mol
Exact Mass484.16
IUPAC Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21
InChIInChI=1S/C24H21ClN10/c1-3-18(22-17-7-6-15(25)9-19(17)34(32-22)16-5-4-8-27-11-16)35-24-20(23(26)28-13-29-24)21(31-35)14-10-30-33(2)12-14/h4-13,18H,3H2,1-2H3,(H2,26,28,29)
InChIKeyYZMZXFUBZXRYHX-UHFFFAOYSA-N
XLogP4.20
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164520972
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164520975
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177382843
2,4-diamino-6-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propylamino]pyrimidine-5-carbonitrile
CID 155223185
[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
N-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
CID 155223231
3-(1-cyclopropylpyrazol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139336336
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269290
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
1-butan-2-yl-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 137254510
N-[(1S)-1-(6-fluoro-1-pyridin-3-ylindazol-3-yl)propyl]-7H-purin-6-amine
CID 147425633

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 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) is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21.
What is the InChIKey of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YZMZXFUBZXRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN10/c1-3-18(22-17-7-6-15(25)9-19(17)34(32-22)16-5-4-8-27-11-16)35-24-20(23(26)28-13-29-24)21(31-35)14-10-30-33(2)12-14/h4-13,18H,3H2,1-2H3,(H2,26,28,29).
What are the key properties of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 484.96 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164520959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).