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

C22H26N8O — CID 90398506

IUPAC3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5cnn(C)c5)CC4)ncn3)c2c1
InChIInChI=1S/C22H26N8O/c1-15(2)31-17-4-5-19-18(10-17)22(27-26-19)20-11-21(24-14-23-20)30-8-6-29(7-9-30)16-12-25-28(3)13-16/h4-5,10-15H,6-9H2,1-3H3,(H,26,27)
InChIKeySMOCEGSJNNTBQV-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.87
Rot. Bonds5

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

3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole (PubChem CID 90398506) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Name3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
PubChem CID90398506
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5cnn(C)c5)CC4)ncn3)c2c1
InChIInChI=1S/C22H26N8O/c1-15(2)31-17-4-5-19-18(10-17)22(27-26-19)20-11-21(24-14-23-20)30-8-6-29(7-9-30)16-12-25-28(3)13-16/h4-5,10-15H,6-9H2,1-3H3,(H,26,27)
InChIKeySMOCEGSJNNTBQV-UHFFFAOYSA-N
XLogP2.87
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
The IUPAC name of 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole (CID 90398506) is 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole.
What is the SMILES notation for 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
The canonical SMILES for 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5cnn(C)c5)CC4)ncn3)c2c1.
What is the InChIKey of 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
The InChIKey is SMOCEGSJNNTBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-15(2)31-17-4-5-19-18(10-17)22(27-26-19)20-11-21(24-14-23-20)30-8-6-29(7-9-30)16-12-25-28(3)13-16/h4-5,10-15H,6-9H2,1-3H3,(H,26,27).
What are the key properties of 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole has a molecular weight of 418.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 90398506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).