N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C19H21F3N6O3 — CID 155853533

IUPACN-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCC12CCN(c1ncccn1)CC2)c1cnccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6O.C2HF3O2/c24-15(13-12-18-8-9-19-13)22-14-2-3-17(14)4-10-23(11-5-17)16-20-6-1-7-21-16;3-2(4,5)1(6)7/h1,6-9,12,14H,2-5,10-11H2,(H,22,24);(H,6,7)
InChIKeyLFVHLSDAARJKMX-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.08
Rot. Bonds3

About N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155853533) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155853533
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC NameN-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCC12CCN(c1ncccn1)CC2)c1cnccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6O.C2HF3O2/c24-15(13-12-18-8-9-19-13)22-14-2-3-17(14)4-10-23(11-5-17)16-20-6-1-7-21-16;3-2(4,5)1(6)7/h1,6-9,12,14H,2-5,10-11H2,(H,22,24);(H,6,7)
InChIKeyLFVHLSDAARJKMX-UHFFFAOYSA-N
XLogP2.08
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazin-2-yl(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234174
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234891
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232961
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 78312664
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone
CID 118742709
5-Methyl-N-{2-[4-(pyrimidin-2-YL)piperazine-1-carbonyl]cyclopentyl}pyrazine-2-carboxamide
CID 91912940
(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-(1H-imidazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742708
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745302
[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 155902663
[(5R)-10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-(1H-imidazol-5-yl)methanone
CID 97502404

Frequently Asked Questions

What is the IUPAC name of N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155853533) is N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCC12CCN(c1ncccn1)CC2)c1cnccn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LFVHLSDAARJKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C2HF3O2/c24-15(13-12-18-8-9-19-13)22-14-2-3-17(14)4-10-23(11-5-17)16-20-6-1-7-21-16;3-2(4,5)1(6)7/h1,6-9,12,14H,2-5,10-11H2,(H,22,24);(H,6,7).
What are the key properties of N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 438.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155853533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).