8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H18ClF2N5O2 — CID 159969076

IUPAC8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(F)(F)CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O
InChIInChI=1S/C17H18ClF2N5O2/c1-16(19,20)9-25-14(26)17(22-15(25)27)2-4-24(5-3-17)13-7-10(18)6-12-11(13)8-21-23-12/h6-8H,2-5,9H2,1H3,(H,21,23)(H,22,27)
InChIKeyPZXCZPQDCWKWQP-UHFFFAOYSA-N
MW397.81 g/mol
LogP2.76
Rot. Bonds3

About 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 159969076) has the molecular formula C17H18ClF2N5O2 and a molecular weight of 397.81 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID159969076
Molecular FormulaC17H18ClF2N5O2
Molecular Weight397.81 g/mol
Exact Mass397.11
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(F)(F)CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O
InChIInChI=1S/C17H18ClF2N5O2/c1-16(19,20)9-25-14(26)17(22-15(25)27)2-4-24(5-3-17)13-7-10(18)6-12-11(13)8-21-23-12/h6-8H,2-5,9H2,1H3,(H,21,23)(H,22,27)
InChIKeyPZXCZPQDCWKWQP-UHFFFAOYSA-N
XLogP2.76
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 159969076) is 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(F)(F)CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PZXCZPQDCWKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N5O2/c1-16(19,20)9-25-14(26)17(22-15(25)27)2-4-24(5-3-17)13-7-10(18)6-12-11(13)8-21-23-12/h6-8H,2-5,9H2,1H3,(H,21,23)(H,22,27).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 397.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 159969076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).