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

C19H23F2N5O — CID 130372452

IUPAC3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole
SMILESCC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(F)CC3)ncn1)NN2
InChIInChI=1S/C19H23F2N5O/c1-12(2)27-13-3-4-15-14(9-13)18(25-24-15)16-10-17(23-11-22-16)26-7-5-19(20,21)6-8-26/h3-4,9-12,18,24-25H,5-8H2,1-2H3
InChIKeyBLPNQKKXUDOJHK-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.52
Rot. Bonds4

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

3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole (PubChem CID 130372452) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole
PubChem CID130372452
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole
SMILESCC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(F)CC3)ncn1)NN2
InChIInChI=1S/C19H23F2N5O/c1-12(2)27-13-3-4-15-14(9-13)18(25-24-15)16-10-17(23-11-22-16)26-7-5-19(20,21)6-8-26/h3-4,9-12,18,24-25H,5-8H2,1-2H3
InChIKeyBLPNQKKXUDOJHK-UHFFFAOYSA-N
XLogP3.52
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-2,3-dihydro-1H-indazole
CID 90400339
(3R)-3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indazole
CID 130372471
(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 130372388
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
[(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-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 156867094
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881588
2-[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 172882295

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole?
The IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole (CID 130372452) is 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole.
What is the SMILES notation for 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole?
The canonical SMILES for 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole is CC(C)Oc1ccc2c(c1)C(c1cc(N3CCC(F)(F)CC3)ncn1)NN2.
What is the InChIKey of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole?
The InChIKey is BLPNQKKXUDOJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-12(2)27-13-3-4-15-14(9-13)18(25-24-15)16-10-17(23-11-22-16)26-7-5-19(20,21)6-8-26/h3-4,9-12,18,24-25H,5-8H2,1-2H3.
What are the key properties of 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole?
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole has a molecular weight of 375.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-2,3-dihydro-1H-indazole is sourced from PubChem (CID 130372452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).