3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole

C22H28N6O — CID 90400339

IUPAC3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole
SMILESCC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CC5)CC4)ncn2)NN3)CC1
InChIInChI=1S/C22H28N6O/c1-22(6-7-22)29-16-4-5-18-17(12-16)21(26-25-18)19-13-20(24-14-23-19)28-10-8-27(9-11-28)15-2-3-15/h4-5,12-15,21,25-26H,2-3,6-11H2,1H3
InChIKeyVGRYEAJGAIPJCK-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.71
Rot. Bonds5

About 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole (PubChem CID 90400339) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole
PubChem CID90400339
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole
SMILESCC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CC5)CC4)ncn2)NN3)CC1
InChIInChI=1S/C22H28N6O/c1-22(6-7-22)29-16-4-5-18-17(12-16)21(26-25-18)19-13-20(24-14-23-19)28-10-8-27(9-11-28)15-2-3-15/h4-5,12-15,21,25-26H,2-3,6-11H2,1H3
InChIKeyVGRYEAJGAIPJCK-UHFFFAOYSA-N
XLogP2.71
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole
CID 130372452
[(3S)-1-[6-[(3R)-6-fluoro-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 130414246
3-[6-[4-[[(3R,5S)-3,5-dimethyl-4-[[1-[6-[5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165136821
(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 130372388
(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole
CID 130372471
2-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 158121251
5-(1-methylcyclopropyl)oxy-3-[6-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]-1H-indazole
CID 90398252
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 123882125
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
8-[6-[4-(1-cyclobutylethyl)piperazin-1-yl]pyrimidin-4-yl]-3-(1-methylcyclopropyl)oxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123930604
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole?
The IUPAC name of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole (CID 90400339) is 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole.
What is the SMILES notation for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole?
The canonical SMILES for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole is CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CC5)CC4)ncn2)NN3)CC1.
What is the InChIKey of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole?
The InChIKey is VGRYEAJGAIPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-22(6-7-22)29-16-4-5-18-17(12-16)21(26-25-18)19-13-20(24-14-23-19)28-10-8-27(9-11-28)15-2-3-15/h4-5,12-15,21,25-26H,2-3,6-11H2,1H3.
What are the key properties of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole?
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole has a molecular weight of 392.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole is sourced from PubChem (CID 90400339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).