(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

C19H27FN4O — CID 97399927

IUPAC(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CC[C@@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1
InChIInChI=1S/C19H27FN4O/c1-15-3-4-17(25-15)12-23-7-5-18(20)19(13-23)6-8-24(14-19)11-16-9-21-22(2)10-16/h3-4,9-10,18H,5-8,11-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyOQAPZIMNYAKCNM-RTBURBONSA-N
MW346.45 g/mol
LogP2.76
Rot. Bonds4

About (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 97399927) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID97399927
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CC[C@@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1
InChIInChI=1S/C19H27FN4O/c1-15-3-4-17(25-15)12-23-7-5-18(20)19(13-23)6-8-24(14-19)11-16-9-21-22(2)10-16/h3-4,9-10,18H,5-8,11-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyOQAPZIMNYAKCNM-RTBURBONSA-N
XLogP2.76
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 131650957
(5R)-7-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373784
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
(4aS,8aR)-1-[2-(5-methylfuran-2-yl)ethyl]-6-[(1-methylpyrazol-4-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56910512
(4S)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97384138
4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130920691
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373683
8-[(5-methylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696960
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
(5R,9S)-7-methyl-2-[(5-methylfuran-2-yl)methyl]-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155844740

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 97399927) is (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is Cc1ccc(CN2CC[C@@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1.
What is the InChIKey of (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is OQAPZIMNYAKCNM-RTBURBONSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-15-3-4-17(25-15)12-23-7-5-18(20)19(13-23)6-8-24(14-19)11-16-9-21-22(2)10-16/h3-4,9-10,18H,5-8,11-14H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
(5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 346.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-fluoro-9-[(5-methylfuran-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97399927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).