2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid

C19H27F3N4O4 — CID 155833855

IUPAC2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-13(2)15(22)20-11-14-5-3-6-17(23-14)7-10-21(12-17)16-18-8-4-9-19-16;3-2(4,5)1(6)7/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3,(H,20,22);(H,6,7)/t14-,17-;/m1./s1
InChIKeyJCVGRDPGOUMZPN-SATBOSKTSA-N
MW432.44 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid

2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 155833855) has the molecular formula C19H27F3N4O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID155833855
Molecular FormulaC19H27F3N4O4
Molecular Weight432.44 g/mol
Exact Mass432.20
IUPAC Name2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-13(2)15(22)20-11-14-5-3-6-17(23-14)7-10-21(12-17)16-18-8-4-9-19-16;3-2(4,5)1(6)7/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3,(H,20,22);(H,6,7)/t14-,17-;/m1./s1
InChIKeyJCVGRDPGOUMZPN-SATBOSKTSA-N
XLogP2.40
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide;2,2,2-trifluoroacetic acid
CID 118742869
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127021560
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127021888
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 127023285
N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide
CID 97474852
N-[[(5R,7S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide
CID 97475510
N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide
CID 97475851
N-[[(5S,7S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]cyclopropanecarboxamide
CID 124779945
N-[[(5S,7S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methoxyacetamide
CID 124790191
(3S,3aR,7aR)-N-cyclopropyl-3-[(pyrimidin-2-ylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155823546
(3S,3aR,7aR)-N-cyclopentyl-3-[(pyrimidin-2-ylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155823705
(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155824441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid (CID 155833855) is 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid is CC(C)C(=O)NC[C@H]1CCC[C@]2(CCN(c3ncccn3)C2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is JCVGRDPGOUMZPN-SATBOSKTSA-N. The full InChI is InChI=1S/C17H26N4O2.C2HF3O2/c1-13(2)15(22)20-11-14-5-3-6-17(23-14)7-10-21(12-17)16-18-8-4-9-19-16;3-2(4,5)1(6)7/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3,(H,20,22);(H,6,7)/t14-,17-;/m1./s1.
What are the key properties of 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid?
2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(5R,7R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).