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

C22H25N7O — CID 90398505

IUPAC5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(n5cccn5)CC4)ncn3)c2c1
InChIInChI=1S/C22H25N7O/c1-15(2)30-17-4-5-19-18(12-17)22(27-26-19)20-13-21(24-14-23-20)28-10-6-16(7-11-28)29-9-3-8-25-29/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,26,27)
InChIKeyDNCFNZYZIXJWJN-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.85
Rot. Bonds5

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

5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole (PubChem CID 90398505) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole
PubChem CID90398505
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(n5cccn5)CC4)ncn3)c2c1
InChIInChI=1S/C22H25N7O/c1-15(2)30-17-4-5-19-18(12-17)22(27-26-19)20-13-21(24-14-23-20)28-10-6-16(7-11-28)29-9-3-8-25-29/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,26,27)
InChIKeyDNCFNZYZIXJWJN-UHFFFAOYSA-N
XLogP3.85
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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US10125144, Example 18
CID 118010994
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
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole (CID 90398505) is 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCC(n5cccn5)CC4)ncn3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole?
The InChIKey is DNCFNZYZIXJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-15(2)30-17-4-5-19-18(12-17)22(27-26-19)20-13-21(24-14-23-20)28-10-6-16(7-11-28)29-9-3-8-25-29/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,26,27).
What are the key properties of 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole?
5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole has a molecular weight of 403.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 90398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).