8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane

C21H23ClF2N6 — CID 155381686

IUPAC8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane
SMILESFC1(F)CNC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
InChIInChI=1S/C21H23ClF2N6/c22-17-7-14-9-27-30(16-10-26-29(11-16)15-1-2-15)18(14)8-19(17)28-5-3-20(4-6-28)12-21(23,24)13-25-20/h7-11,15,25H,1-6,12-13H2
InChIKeyOZQBTADTLALSOZ-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.18
Rot. Bonds3

About 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane

8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane (PubChem CID 155381686) has the molecular formula C21H23ClF2N6 and a molecular weight of 432.91 g/mol. Its IUPAC name is 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane
PubChem CID155381686
Molecular FormulaC21H23ClF2N6
Molecular Weight432.91 g/mol
Exact Mass432.16
IUPAC Name8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane
SMILESFC1(F)CNC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1
InChIInChI=1S/C21H23ClF2N6/c22-17-7-14-9-27-30(16-10-26-29(11-16)15-1-2-15)18(14)8-19(17)28-5-3-20(4-6-28)12-21(23,24)13-25-20/h7-11,15,25H,1-6,12-13H2
InChIKeyOZQBTADTLALSOZ-UHFFFAOYSA-N
XLogP4.18
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane (CID 155381686) is 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane is FC1(F)CNC2(CCN(c3cc4c(cnn4-c4cnn(C5CC5)c4)cc3Cl)CC2)C1.
What is the InChIKey of 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane?
The InChIKey is OZQBTADTLALSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N6/c22-17-7-14-9-27-30(16-10-26-29(11-16)15-1-2-15)18(14)8-19(17)28-5-3-20(4-6-28)12-21(23,24)13-25-20/h7-11,15,25H,1-6,12-13H2.
What are the key properties of 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane?
8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane has a molecular weight of 432.91 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-chloro-1-(1-cyclopropylpyrazol-4-yl)indazol-6-yl]-3,3-difluoro-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 155381686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).