5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole

C22H24N8O — CID 90398836

IUPAC5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5ccncn5)CC4)ncn3)c2c1
InChIInChI=1S/C22H24N8O/c1-15(2)31-16-3-4-18-17(11-16)22(28-27-18)19-12-21(26-14-24-19)30-9-7-29(8-10-30)20-5-6-23-13-25-20/h3-6,11-15H,7-10H2,1-2H3,(H,27,28)
InChIKeyYGQDYCPPBSZGKK-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.92
Rot. Bonds5

About 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole

5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole (PubChem CID 90398836) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
PubChem CID90398836
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5ccncn5)CC4)ncn3)c2c1
InChIInChI=1S/C22H24N8O/c1-15(2)31-16-3-4-18-17(11-16)22(28-27-18)19-12-21(26-14-24-19)30-9-7-29(8-10-30)20-5-6-23-13-25-20/h3-6,11-15H,7-10H2,1-2H3,(H,27,28)
InChIKeyYGQDYCPPBSZGKK-UHFFFAOYSA-N
XLogP2.92
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

MLi-2
CID 78319901
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
Pyrazole, 16
CID 11567059
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646062
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 56970264
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394091
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole (CID 90398836) is 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5ccncn5)CC4)ncn3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
The InChIKey is YGQDYCPPBSZGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15(2)31-16-3-4-18-17(11-16)22(28-27-18)19-12-21(26-14-24-19)30-9-7-29(8-10-30)20-5-6-23-13-25-20/h3-6,11-15H,7-10H2,1-2H3,(H,27,28).
What are the key properties of 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole has a molecular weight of 416.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 90398836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).