(5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C16H18F2N4O — CID 162597173

IUPAC(5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1nc(C(F)F)c2cc(N3CC[C@]4(CCNC4)C3=O)ccc21
InChIInChI=1S/C16H18F2N4O/c1-21-12-3-2-10(8-11(12)13(20-21)14(17)18)22-7-5-16(15(22)23)4-6-19-9-16/h2-3,8,14,19H,4-7,9H2,1H3/t16-/m0/s1
InChIKeyNRSSXWGJLPHRGX-INIZCTEOSA-N
MW320.34 g/mol
LogP2.23
Rot. Bonds2

About (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 162597173) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID162597173
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1nc(C(F)F)c2cc(N3CC[C@]4(CCNC4)C3=O)ccc21
InChIInChI=1S/C16H18F2N4O/c1-21-12-3-2-10(8-11(12)13(20-21)14(17)18)22-7-5-16(15(22)23)4-6-19-9-16/h2-3,8,14,19H,4-7,9H2,1H3/t16-/m0/s1
InChIKeyNRSSXWGJLPHRGX-INIZCTEOSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 162597173) is (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is Cn1nc(C(F)F)c2cc(N3CC[C@]4(CCNC4)C3=O)ccc21.
What is the InChIKey of (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is NRSSXWGJLPHRGX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-21-12-3-2-10(8-11(12)13(20-21)14(17)18)22-7-5-16(15(22)23)4-6-19-9-16/h2-3,8,14,19H,4-7,9H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 320.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[3-(difluoromethyl)-1-methylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 162597173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).