(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H25F3N4O2 — CID 97131703

IUPAC(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2cc(C(F)(F)F)ccn2)C[C@@]12CCC(=O)N(CCO)CC2
InChIInChI=1S/C18H25F3N4O2/c1-23-8-9-25(15-12-14(3-6-22-15)18(19,20)21)13-17(23)4-2-16(27)24(7-5-17)10-11-26/h3,6,12,26H,2,4-5,7-11,13H2,1H3/t17-/m0/s1
InChIKeyJCRPVWHYUZEFJQ-KRWDZBQOSA-N
MW386.42 g/mol
LogP1.60
Rot. Bonds3

About (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97131703) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97131703
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2cc(C(F)(F)F)ccn2)C[C@@]12CCC(=O)N(CCO)CC2
InChIInChI=1S/C18H25F3N4O2/c1-23-8-9-25(15-12-14(3-6-22-15)18(19,20)21)13-17(23)4-2-16(27)24(7-5-17)10-11-26/h3,6,12,26H,2,4-5,7-11,13H2,1H3/t17-/m0/s1
InChIKeyJCRPVWHYUZEFJQ-KRWDZBQOSA-N
XLogP1.60
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-cyclopropylpyrimidin-4-yl)-10-(2-hydroxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72885348
2-(3-hydroxypropyl)-9-[4-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70780884
10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70709882
(6S)-10-(cyclopropylmethyl)-1-methyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97187948
4-(6-cyclopropylpyrimidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72857942
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941260
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(2-methyl-4-pyridinyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100899695
(6S)-10-(2-hydroxyethyl)-1-methyl-4-(thiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127731
10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72866132
(6R)-4-[4-(dimethylamino)pyrimidin-2-yl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98840183
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127057
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[(E)-3-phenylprop-2-enyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97143656

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97131703) is (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(c2cc(C(F)(F)F)ccn2)C[C@@]12CCC(=O)N(CCO)CC2.
What is the InChIKey of (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is JCRPVWHYUZEFJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-23-8-9-25(15-12-14(3-6-22-15)18(19,20)21)13-17(23)4-2-16(27)24(7-5-17)10-11-26/h3,6,12,26H,2,4-5,7-11,13H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 386.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97131703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).