10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)

C22H25F6N5O5 — CID 118746240

IUPAC10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cnc(N2CCOCC3(CCN(c4ccccn4)C3)C2)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O.2C2HF3O2/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16;2*3-2(4,5)1(6)7/h2-4,6,10-11H,5,7-9,12-14H2,1H3;2*(H,6,7)
InChIKeyVKPKBGOJFUQQDZ-UHFFFAOYSA-N
MW553.46 g/mol
LogP3.18
Rot. Bonds2

About 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)

10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746240) has the molecular formula C22H25F6N5O5 and a molecular weight of 553.46 g/mol. Its IUPAC name is 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746240
Molecular FormulaC22H25F6N5O5
Molecular Weight553.46 g/mol
Exact Mass553.18
IUPAC Name10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cnc(N2CCOCC3(CCN(c4ccccn4)C3)C2)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N5O.2C2HF3O2/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16;2*3-2(4,5)1(6)7/h2-4,6,10-11H,5,7-9,12-14H2,1H3;2*(H,6,7)
InChIKeyVKPKBGOJFUQQDZ-UHFFFAOYSA-N
XLogP3.18
TPSA128.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(5-Methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746241
2-Pyridin-2-yl-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746246
2-Methyl-2-{2-[methyl(pyridin-3-ylmethyl)amino]-4-morpholin-4-ylpyrimidin-5-yl}propanoic acid
CID 72888111
1-methyl-4-(5-methylpyrimidin-2-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118742527
4-Methyl-7-pyridin-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine;2,2,2-trifluoroacetic acid
CID 118742647
2-Pyridin-2-yl-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118743661
10-Ethylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 118743871
10-Methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 118743873
N,N-dimethyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide;2,2,2-trifluoroacetic acid
CID 118744042
4-[4-Methyl-7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]morpholine;2,2,2-trifluoroacetic acid
CID 118744098
4-[7-[(6-Methyl-2-pyridinyl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 118744217
10-Propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 118744273

Frequently Asked Questions

What is the IUPAC name of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid) (CID 118746240) is 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid) is Cc1cnc(N2CCOCC3(CCN(c4ccccn4)C3)C2)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VKPKBGOJFUQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.2C2HF3O2/c1-15-10-20-17(21-11-15)23-8-9-24-14-18(13-23)5-7-22(12-18)16-4-2-3-6-19-16;2*3-2(4,5)1(6)7/h2-4,6,10-11H,5,7-9,12-14H2,1H3;2*(H,6,7).
What are the key properties of 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)?
10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 553.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).