2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid

C19H25F3N4O4 — CID 155839619

IUPAC2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)NCC1CCC2(CN(c3ncccn3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2.C2HF3O2/c22-15(8-13-2-3-13)20-9-14-4-5-17(23-10-14)11-21(12-17)16-18-6-1-7-19-16;3-2(4,5)1(6)7/h1,6-7,13-14H,2-5,8-12H2,(H,20,22);(H,6,7)
InChIKeyCWFPISBDBGBPOD-UHFFFAOYSA-N
MW430.43 g/mol
LogP2.01
Rot. Bonds5

About 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid

2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155839619) has the molecular formula C19H25F3N4O4 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155839619
Molecular FormulaC19H25F3N4O4
Molecular Weight430.43 g/mol
Exact Mass430.18
IUPAC Name2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)NCC1CCC2(CN(c3ncccn3)C2)OC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2.C2HF3O2/c22-15(8-13-2-3-13)20-9-14-4-5-17(23-10-14)11-21(12-17)16-18-6-1-7-19-16;3-2(4,5)1(6)7/h1,6-7,13-14H,2-5,8-12H2,(H,20,22);(H,6,7)
InChIKeyCWFPISBDBGBPOD-UHFFFAOYSA-N
XLogP2.01
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
(4R,4aS,8aR)-N-(cyclopropylmethyl)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 127021895
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
3,3-difluoro-N-[2-[(8R)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
CID 124233879
3,3-difluoro-N-[2-[(8S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
CID 124233880
(3,3-difluorocyclobutyl)-[(8R)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124244496
(3,3-difluorocyclobutyl)-[(8S)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124244497
(3,3-Difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131655808
3,3-difluoro-N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide
CID 133135706
(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
N-(9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl)cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155823630
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155824099

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid (CID 155839619) is 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CC1)NCC1CCC2(CN(c3ncccn3)C2)OC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is CWFPISBDBGBPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C2HF3O2/c22-15(8-13-2-3-13)20-9-14-4-5-17(23-10-14)11-21(12-17)16-18-6-1-7-19-16;3-2(4,5)1(6)7/h1,6-7,13-14H,2-5,8-12H2,(H,20,22);(H,6,7).
What are the key properties of 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid?
2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 430.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).